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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H17N3O3/c16-9-11-1-3-13(4-2-11)17-14(19)10-18-7-5-12(6-8-18)15(20)21/h1-4,12H,5-8,10H2,(H,17,19)(H,20,21)