dimethyl-[2-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[[8-methyl-2-(m-tolyl)-3-quinolyl]methyl-(thiophene-2-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[8-methyl-2-(3-methylphenyl)-3-quinolinyl]methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl-(thiophene-2-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[[8-methyl-2-(m-tolyl)-3-quinolyl]methyl-(2-thenoyl)amino]ethyl]ammonium Formula: C27H30N3OS+ MolecularWeight: 444.6116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=C3C=CC=C(C3=N2)C)CN(CC[NH+](C)C)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=C3C=CC=C(C3=N2)C)CN(CC[NH+](C)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H29N3OS/c1-19-8-5-10-21(16-19)26-23(17-22-11-6-9-20(2)25(22)28-26)18-30(14-13-29(3)4)27(31)24-12-7-15-32-24/h5-12,15-17H,13-14,18H2,1-4H3/p+1