2-[3-(2-methoxyphenyl)propanoyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(2-methoxyphenyl)propanoyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[3-(2-methoxyphenyl)propanoyl-[[7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(2-methoxyphenyl)-1-oxopropyl]-[[7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-(2-methoxyphenyl)propanoyl-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[3-(2-methoxyphenyl)propanoyl-[[7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium Formula: C29H34N3O2S2+ MolecularWeight: 520.72916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=CS3)C(=O)CCC4=CC=CC=C4OC

Isomeric SMILES

C[NH+](C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=CS3)C(=O)CCC4=CC=CC=C4OC

InChI

InChI=1S/C29H33N3O2S2/c1-31(2)15-16-32(28(33)14-12-21-8-5-6-9-26(21)34-3)20-23-18-22-11-13-24(35-4)19-25(22)30-29(23)27-10-7-17-36-27/h5-11,13,17-19H,12,14-16,20H2,1-4H3/p+1