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

Systemtic Name: (3-chlorophenyl)methyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (3-chlorophenyl)methyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (3-chlorophenyl)methyl-[[3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (3-chlorophenyl)methyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (3-chlorobenzyl)-[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C22H31ClN2O3+2 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O3/c1-27-21-8-7-18(14-24-13-17-5-4-6-19(23)11-17)12-22(21)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