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

Systemtic Name: 2-(3-fluorophenyl)ethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(3-fluorophenyl)ethyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-(3-fluorophenyl)ethyl-[[3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(3-fluorophenyl)ethyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-(3-fluorophenyl)ethyl-[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C23H33FN2O3+2 MolecularWeight: 404.518123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC(=CC=C2)F)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC(=CC=C2)F)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H31FN2O3/c1-28-22-8-7-19(15-25-10-9-18-5-4-6-20(24)13-18)14-23(22)29-17-21(27)16-26-11-2-3-12-26/h4-8,13-14,21,25,27H,2-3,9-12,15-17H2,1H3/p+2/t21-/m1/s1