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

Systemtic Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-phenethyl-N-veratryl-pyrrolidin-1-ium-2-carboxamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCC[NH+]2CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@@H]2CCC[NH+]2CCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-26-20-11-10-18(15-21(20)27-2)16-23-22(25)19-9-6-13-24(19)14-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,15,19H,6,9,12-14,16H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1