(3S)-1-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O2/c15-11-4-3-10(6-12(11)16)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H2,17,21)(H,18,20)/p+1/t9-/m0/s1