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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)NC2=CC(=C(C=C2)Cl)N)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CCC(=O)NC2=CC(=C(C=C2)Cl)N)C(=O)N

InChI

InChI=1S/C14H19ClN4O2/c15-10-4-3-9(8-11(10)16)18-13(20)5-7-19-6-1-2-12(19)14(17)21/h3-4,8,12H,1-2,5-7,16H2,(H2,17,21)(H,18,20)/p+1/t12-/m1/s1