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

Systemtic Name: (2S)-N-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-17-11-6-5-9(8-12(11)18-2)15-13(16)10-4-3-7-14-10/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1