2-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-[2-(2-chloroanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-[2-(2-chloroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-[2-(2-chloroanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]nicotinamide Formula: C18H21ClN5O2+ MolecularWeight: 374.84464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=C(C=CC=N3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=C(C=CC=N3)C(=O)N

InChI

InChI=1S/C18H20ClN5O2/c19-14-5-1-2-6-15(14)22-16(25)12-23-8-10-24(11-9-23)18-13(17(20)26)4-3-7-21-18/h1-7H,8-12H2,(H2,20,26)(H,22,25)/p+1