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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: benzyl-[3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C24H34N2O4+2 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CC3=CC=CC=C3)O

InChI

InChI=1S/C24H32N2O4/c1-29-24(28)21-10-12-26(13-11-21)17-22(27)18-30-23-9-5-8-20(14-23)16-25-15-19-6-3-2-4-7-19/h2-9,14,21-22,25,27H,10-13,15-18H2,1H3/p+2/t22-/m0/s1