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

Systemtic Name: (2S)-N-(2,3-dimethylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(2,3-dimethylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(2,3-dimethylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(2,3-dimethylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCC[NH2+]2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)[C@@H]2CCC[NH2+]2)C

InChI

InChI=1S/C13H18N2O/c1-9-5-3-6-11(10(9)2)15-13(16)12-7-4-8-14-12/h3,5-6,12,14H,4,7-8H2,1-2H3,(H,15,16)/p+1/t12-/m0/s1