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113407-74-2 | 10H-Pyrido[1,2-a]indolium, 10,10-dimethyl-8-phenyl-, perchlorate (9CI)
CAS No: 113407-74-2 Catalog No: AG0008HD MDL No:
Product Description
Catalog Number:
AG0008HD
Chemical Name:
10H-Pyrido[1,2-a]indolium, 10,10-dimethyl-8-phenyl-, perchlorate (9CI)
CAS Number:
113407-74-2
Molecular Formula:
C20H18ClNO4
Molecular Weight:
371.8142
IUPAC Name:
10,10-dimethyl-8-phenylpyrido[1,2-a]indol-5-ium;perchlorate
InChI:
InChI=1S/C20H18N.ClHO4/c1-20(2)17-10-6-7-11-18(17)21-13-12-16(14-19(20)21)15-8-4-3-5-9-15;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QZRVIBPGVAOPIE-UHFFFAOYSA-M
SMILES:
CC1(C)c2cc(cc[n+]2c2c1cccc2)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.817g/mol
Monoisotopic Mass:
371.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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