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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]pent-4-enamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxy-1-piperidyl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]pent-4-enamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-N-[[2-(4-hydroxy-1-piperidinyl)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-4-pentenamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]pent-4-enamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxypiperidino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]pent-4-enamide Formula: C29H40N3O2S+ MolecularWeight: 494.7118

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCC3=CCCCC3)C(=O)CCC=C)N4CCC(CC4)O

Isomeric SMILES

CSC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCC3=CCCCC3)C(=O)CCC=C)N4CCC(CC4)O

InChI

InChI=1S/C29H39N3O2S/c1-3-4-10-28(34)32(16-13-22-8-6-5-7-9-22)21-24-19-23-11-12-26(35-2)20-27(23)30-29(24)31-17-14-25(33)15-18-31/h3,8,11-12,19-20,25,33H,1,4-7,9-10,13-18,21H2,2H3/p+1