(3,4-dimethoxyphenyl)methyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[[7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[[7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]azanium Traditional Name: [7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl-veratryl-ammonium Formula: C24H25N2O2S2+ MolecularWeight: 437.5975

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=CS4)OC

InChI

InChI=1S/C24H24N2O2S2/c1-27-21-9-6-16(11-22(21)28-2)14-25-15-18-12-17-7-8-19(29-3)13-20(17)26-24(18)23-5-4-10-30-23/h4-13,25H,14-15H2,1-3H3/p+1