(2S)-N-(4-acetamidophenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(4-acetamidophenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(4-acetamidophenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(4-acetamidophenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(4-acetamidophenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(4-acetamidophenyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCC[NH2+]2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C13H17N3O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-3-2-8-14-12/h4-7,12,14H,2-3,8H2,1H3,(H,15,17)(H,16,18)/p+1/t12-/m0/s1