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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-[3-(methylthio)propyl]ammonium Formula: C21H36N2O4S+2 MolecularWeight: 412.58654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-26-21(25)18-8-11-23(12-9-18)15-19(24)16-27-20-6-4-17(5-7-20)14-22-10-3-13-28-2/h4-7,18-19,22,24H,3,8-16H2,1-2H3/p+2/t19-/m0/s1