2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-(2,3,4-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-(2,3,4-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-(2,3,4-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-8-methyl-3-quinolin-1-iumyl]methyl-[oxo-(2,3,4-trimethoxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-8-methylquinolin-1-ium-3-yl]methyl-(2,3,4-trimethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-(2,3,4-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C27H38N4O4+2 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C([NH+]=C12)N(C)C)CN(CC[NH+](C)C)C(=O)C3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=CC2=CC(=C([NH+]=C12)N(C)C)CN(CC[NH+](C)C)C(=O)C3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C27H36N4O4/c1-18-10-9-11-19-16-20(26(30(4)5)28-23(18)19)17-31(15-14-29(2)3)27(32)21-12-13-22(33-6)25(35-8)24(21)34-7/h9-13,16H,14-15,17H2,1-8H3/p+2