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

Systemtic Name: (3S)-1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-cyanoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-cyanoanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-cyanoanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-cyanoanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H17N3O3 MolecularWeight: 287.31378

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/c16-8-11-3-5-13(6-4-11)17-14(19)10-18-7-1-2-12(9-18)15(20)21/h3-6,12H,1-2,7,9-10H2,(H,17,19)(H,20,21)/t12-/m0/s1