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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [4-[(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=C(C=C2)C[NH2+]CCCN3C=CC=N3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O4/c1-30-23(29)20-8-14-26(15-9-20)17-21(28)18-31-22-6-4-19(5-7-22)16-24-10-2-12-27-13-3-11-25-27/h3-7,11,13,20-21,24,28H,2,8-10,12,14-18H2,1H3/p+2/t21-/m0/s1