(2R)-N-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-veratryl-pyrrolidin-1-ium-2-carboxamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCC[NH+]2CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@H]2CCC[NH+]2CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-19-11-10-17(13-20(19)26-2)14-22-21(24)18-9-6-12-23(18)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3,(H,22,24)/p+1/t18-/m1/s1