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85283-95-0 | 2-(2-(4-(Diethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate
CAS No: 85283-95-0 Catalog No: AG004LSK MDL No:
Product Description
Catalog Number:
AG004LSK
Chemical Name:
2-(2-(4-(Diethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate
CAS Number:
85283-95-0
Molecular Formula:
C23H30N2O4S
Molecular Weight:
430.5603
IUPAC Name:
N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;hydrogen sulfate
InChI:
InChI=1S/C23H29N2.H2O4S/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h8-17H,6-7H2,1-5H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
DDCQOMCTMUPVHS-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC
EC Number:
286-623-0
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
430.193g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.563g/mol
Monoisotopic Mass:
430.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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