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

Systemtic Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-homoveratrylpyrrolidin-1-ium-2-carboxamide Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCC[NH2+]2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@@H]2CCC[NH2+]2)OC

InChI

InChI=1S/C15H22N2O3/c1-19-13-6-5-11(10-14(13)20-2)7-9-17-15(18)12-4-3-8-16-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3,(H,17,18)/p+1/t12-/m0/s1