200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 85283-78-9
85283-78-9 | 5-Methoxy-1,3,3-trimethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl)-3H-indolium hydrogen sulphate
CAS No: 85283-78-9 Catalog No: AG004PN8 MDL No:
Product Description
Catalog Number:
AG004PN8
Chemical Name:
5-Methoxy-1,3,3-trimethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl)-3H-indolium hydrogen sulphate
CAS Number:
85283-78-9
Molecular Formula:
C29H30N2O5S
Molecular Weight:
518.6239
IUPAC Name:
hydrogen sulfate;5-methoxy-1,3,3-trimethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium
InChI:
InChI=1S/C29H29N2O.H2O4S/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5(2,3)4/h6-19H,1-5H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
NJPNVCQLPSZMHN-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.COc1ccc2c(c1)C(C)(C)C(=[N+]2C)C=Cc1c(c2ccccc2)n(c2c1cccc2)C
EC Number:
286-605-2
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
518.188g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
518.628g/mol
Monoisotopic Mass:
518.188g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.