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

Systemtic Name: (5-fluoranyl-2-methyl-phenyl)methyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (5-fluoro-2-methyl-phenyl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (5-fluoro-2-methylphenyl)methyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (5-fluoro-2-methylphenyl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (5-fluoro-2-methyl-benzyl)-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C23H33FN2O3+2 MolecularWeight: 404.518123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)F)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCC3)O)OC

InChI

InChI=1S/C23H31FN2O3/c1-17-5-7-20(24)12-19(17)14-25-13-18-6-8-22(23(11-18)28-2)29-16-21(27)15-26-9-3-4-10-26/h5-8,11-12,21,25,27H,3-4,9-10,13-16H2,1-2H3/p+2/t21-/m1/s1