(2S)-N-(2-chloranyl-4,6-dimethyl-phenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(2-chloranyl-4,6-dimethyl-phenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(2-chloro-4,6-dimethyl-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(2-chloro-4,6-dimethylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(2-chloro-4,6-dimethylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(2-chloro-4,6-dimethyl-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O/c1-8-6-9(2)12(10(14)7-8)16-13(17)11-4-3-5-15-11/h6-7,11,15H,3-5H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1