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

Systemtic Name: (3S)-1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(4-cyanoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(4-cyanoanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(4-cyanoanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(4-cyanoanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2/c16-8-11-3-5-13(6-4-11)18-14(20)10-19-7-1-2-12(9-19)15(17)21/h3-6,12H,1-2,7,9-10H2,(H2,17,21)(H,18,20)/p+1/t12-/m0/s1