[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium

Systemtic Name: [2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium Openeye Name: [2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: [2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: [2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: 3-(2-ketopyrrolidino)propyl-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]ammonium Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)C[NH2+]CCCN4CCCC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)C[NH2+]CCCN4CCCC4=O

InChI

InChI=1S/C25H29N3O2S/c1-30-21-9-6-18(7-10-21)25-20(15-19-8-11-22(31-2)16-23(19)27-25)17-26-12-4-14-28-13-3-5-24(28)29/h6-11,15-16,26H,3-5,12-14,17H2,1-2H3/p+1