(2S)-N-(3-chloranyl-2-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(3-chloranyl-2-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(3-chloro-2-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(3-chloro-2-methylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(3-chloro-2-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C12H16ClN2O+ MolecularWeight: 239.72124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCC[NH2+]2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C12H15ClN2O/c1-8-9(13)4-2-5-10(8)15-12(16)11-6-3-7-14-11/h2,4-5,11,14H,3,6-7H2,1H3,(H,15,16)/p+1/t11-/m0/s1