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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-phenylpropyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-phenylpropyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-phenylpropyl)ammonium Formula: C26H38N2O4+2 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCC3=CC=CC=C3)O

InChI

InChI=1S/C26H36N2O4/c1-31-26(30)23-12-15-28(16-13-23)19-24(29)20-32-25-11-5-9-22(17-25)18-27-14-6-10-21-7-3-2-4-8-21/h2-5,7-9,11,17,23-24,27,29H,6,10,12-16,18-20H2,1H3/p+2/t24-/m0/s1