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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[3-(3-pyridyl)propyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(3-pyridin-3-ylpropyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[3-(3-pyridyl)propyl]ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCCC2=CN=CC=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCCC2=CN=CC=C2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H33N3O3/c1-28-22-9-8-20(16-25-11-5-7-19-6-4-10-24-15-19)14-23(22)29-18-21(27)17-26-12-2-3-13-26/h4,6,8-10,14-15,21,25,27H,2-3,5,7,11-13,16-18H2,1H3/p+2/t21-/m1/s1