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

Systemtic Name: (3-fluorophenyl)methyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (3-fluorophenyl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (3-fluorophenyl)methyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (3-fluorobenzyl)-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C22H31FN2O3+2 MolecularWeight: 390.491543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC(=CC=C2)F)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC(=CC=C2)F)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H29FN2O3/c1-27-22-12-18(14-24-13-17-5-4-6-19(23)11-17)7-8-21(22)28-16-20(26)15-25-9-2-3-10-25/h4-8,11-12,20,24,26H,2-3,9-10,13-16H2,1H3/p+2/t20-/m1/s1