2-[(7-methoxy-2-thiophen-2-yl-quinolin-3-yl)methyl-(4-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-methoxy-2-thiophen-2-yl-quinolin-3-yl)methyl-(4-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[7-methoxy-2-(2-thienyl)-3-quinolyl]methyl-(4-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-methoxy-2-thiophen-2-yl-3-quinolinyl)methyl-[(4-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl-(4-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[7-methoxy-2-(2-thienyl)-3-quinolyl]methyl-p-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C27H30N3O2S+ MolecularWeight: 460.611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC2=C(N=C3C=C(C=CC3=C2)OC)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC2=C(N=C3C=C(C=CC3=C2)OC)C4=CC=CS4

InChI

InChI=1S/C27H29N3O2S/c1-19-7-9-20(10-8-19)27(31)30(14-13-29(2)3)18-22-16-21-11-12-23(32-4)17-24(21)28-26(22)25-6-5-15-33-25/h5-12,15-17H,13-14,18H2,1-4H3/p+1