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

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C21H34N4O4+2 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NN1)CC2=C(C=CC(=C2)OC)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

C[NH+](CC1=CC=NN1)CC2=C(C=CC(=C2)OC)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C21H32N4O4/c1-24(13-17-5-8-22-23-17)12-16-11-20(28-2)3-4-21(16)29-15-19(27)14-25-9-6-18(26)7-10-25/h3-5,8,11,18-19,26-27H,6-7,9-10,12-15H2,1-2H3,(H,22,23)/p+2/t19-/m1/s1