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

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C22H36N4O4+2 MolecularWeight: 420.54564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]CCCN3C=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]CCCN3C=CC=N3

InChI

InChI=1S/C22H34N4O4/c1-29-21-4-5-22(30-17-20(28)16-25-12-6-19(27)7-13-25)18(14-21)15-23-8-2-10-26-11-3-9-24-26/h3-5,9,11,14,19-20,23,27-28H,2,6-8,10,12-13,15-17H2,1H3/p+2/t20-/m1/s1