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

Systemtic Name: [3-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC(COC2=CC=CC(=C2)C[NH2+]CCCN3C=CC=N3)O

Isomeric SMILES

C1C[NH+](CCC1O)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCN3C=CC=N3)O

InChI

InChI=1S/C21H32N4O3/c26-19-6-12-24(13-7-19)16-20(27)17-28-21-5-1-4-18(14-21)15-22-8-2-10-25-11-3-9-23-25/h1,3-5,9,11,14,19-20,22,26-27H,2,6-8,10,12-13,15-17H2/p+2/t20-/m0/s1