(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: (7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: (7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl-(3,4,5-trimethoxybenzyl)ammonium Formula: C25H27N2O3S2+ MolecularWeight: 467.62348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=CS4

InChI

InChI=1S/C25H26N2O3S2/c1-28-21-10-16(11-22(29-2)25(21)30-3)14-26-15-18-12-17-7-8-19(31-4)13-20(17)27-24(18)23-6-5-9-32-23/h5-13,26H,14-15H2,1-4H3/p+1