1-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(5-chloro-2-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=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

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

InChI

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