[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C20H32N4O3+2 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCN2C=CC=N2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCN2C=CC=N2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C20H30N4O3/c1-26-19-6-5-17(14-21-8-12-24-11-4-7-22-24)13-20(19)27-16-18(25)15-23-9-2-3-10-23/h4-7,11,13,18,21,25H,2-3,8-10,12,14-16H2,1H3/p+2/t18-/m1/s1