N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxy-1-piperidyl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-2-methoxy-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-N-[[2-(4-hydroxy-1-piperidinyl)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-2-methoxyacetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]-2-methoxyacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxypiperidino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]-2-methoxy-acetamide Formula: C27H38N3O3S+ MolecularWeight: 484.67392

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N(CCC1=CCCCC1)CC2=C([NH+]=C3C=C(C=CC3=C2)SC)N4CCC(CC4)O

Isomeric SMILES

COCC(=O)N(CCC1=CCCCC1)CC2=C([NH+]=C3C=C(C=CC3=C2)SC)N4CCC(CC4)O

InChI

InChI=1S/C27H37N3O3S/c1-33-19-26(32)30(13-10-20-6-4-3-5-7-20)18-22-16-21-8-9-24(34-2)17-25(21)28-27(22)29-14-11-23(31)12-15-29/h6,8-9,16-17,23,31H,3-5,7,10-15,18-19H2,1-2H3/p+1