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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-(1-phenylcyclopropyl)ammonium Formula: C24H34N2O3+2 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2(CC2)C3=CC=CC=C3)OCC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2(CC2)C3=CC=CC=C3)OC[C@@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C24H32N2O3/c1-28-23-15-19(16-25-24(11-12-24)20-7-3-2-4-8-20)9-10-22(23)29-18-21(27)17-26-13-5-6-14-26/h2-4,7-10,15,21,25,27H,5-6,11-14,16-18H2,1H3/p+2/t21-/m1/s1