2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-[3-(4-methylphenyl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-[3-(4-methylphenyl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-[3-(p-tolyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-8-methyl-3-quinolin-1-iumyl]methyl-[3-(4-methylphenyl)-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-8-methylquinolin-1-ium-3-yl]methyl-[3-(4-methylphenyl)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-[3-(p-tolyl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C27H38N4O+2 MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N(CC[NH+](C)C)CC2=C([NH+]=C3C(=CC=CC3=C2)C)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N(CC[NH+](C)C)CC2=C([NH+]=C3C(=CC=CC3=C2)C)N(C)C

InChI

InChI=1S/C27H36N4O/c1-20-10-12-22(13-11-20)14-15-25(32)31(17-16-29(3)4)19-24-18-23-9-7-8-21(2)26(23)28-27(24)30(5)6/h7-13,18H,14-17,19H2,1-6H3/p+2