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

Systemtic Name: 2-(3-chlorophenyl)ethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(3-chlorophenyl)ethyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-(3-chlorophenyl)ethyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(3-chlorophenyl)ethyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-(3-chlorophenyl)ethyl-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C23H33ClN2O3+2 MolecularWeight: 420.97272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O3/c1-28-23-14-19(15-25-10-9-18-5-4-6-20(24)13-18)7-8-22(23)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