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

Systemtic Name: (2-fluorophenyl)methyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (2-fluorophenyl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (2-fluorophenyl)methyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (2-fluorophenyl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (2-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=C2F)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2F)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H29FN2O3/c1-27-22-12-17(13-24-14-18-6-2-3-7-20(18)23)8-9-21(22)28-16-19(26)15-25-10-4-5-11-25/h2-3,6-9,12,19,24,26H,4-5,10-11,13-16H2,1H3/p+2/t19-/m1/s1