(2R)-1-[(2S)-1-[(3-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[(2S)-1-[(3-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[(1S)-2-(3-amino-4-chloro-anilino)-1-methyl-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-[(2S)-1-(3-amino-4-chloroanilino)-1-oxopropan-2-yl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[(2S)-1-(3-amino-4-chloroanilino)-1-oxopropan-2-yl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[(1S)-2-(3-amino-4-chloro-anilino)-2-keto-1-methyl-ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C14H20ClN4O2+ MolecularWeight: 311.7872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)N)[NH+]2CCCC2C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)N)[NH+]2CCC[C@@H]2C(=O)N

InChI

InChI=1S/C14H19ClN4O2/c1-8(19-6-2-3-12(19)13(17)20)14(21)18-9-4-5-10(15)11(16)7-9/h4-5,7-8,12H,2-3,6,16H2,1H3,(H2,17,20)(H,18,21)/p+1/t8-,12+/m0/s1