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

Systemtic Name: 1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H21ClN4O2/c22-19-12-18(7-6-16(19)13-23)24-20(27)14-26-10-8-15(9-11-26)21(28)25-17-4-2-1-3-5-17/h1-7,12,15H,8-11,14H2,(H,24,27)(H,25,28)/p+1