[4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-[2-(methylthio)ethyl]ammonium Formula: C20H34N2O4S+2 MolecularWeight: 398.55996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCSC)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCSC)O

InChI

InChI=1S/C20H32N2O4S/c1-25-20(24)17-7-10-22(11-8-17)14-18(23)15-26-19-5-3-16(4-6-19)13-21-9-12-27-2/h3-6,17-18,21,23H,7-15H2,1-2H3/p+2/t18-/m0/s1