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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C23H36N4O4+2 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCCN3C=CC=N3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCN3C=CC=N3)O

InChI

InChI=1S/C23H34N4O4/c1-30-23(29)20-7-13-26(14-8-20)17-21(28)18-31-22-6-2-5-19(15-22)16-24-9-3-11-27-12-4-10-25-27/h2,4-6,10,12,15,20-21,24,28H,3,7-9,11,13-14,16-18H2,1H3/p+2/t21-/m0/s1