(2S)-1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(4-chloroanilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-(4-chloroanilino)-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(4-chloroanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(4-chloroanilino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C14H19ClN3O2+ MolecularWeight: 296.77256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2/c15-10-4-6-11(7-5-10)17-13(19)9-18-8-2-1-3-12(18)14(16)20/h4-7,12H,1-3,8-9H2,(H2,16,20)(H,17,19)/p+1/t12-/m0/s1