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

Systemtic Name: 4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-pyridin-3-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-chloroanilino)-2-oxo-ethyl]-N-(3-pyridyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-(3-pyridinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-pyridin-3-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-chloroanilino)-2-keto-ethyl]-N-(3-pyridyl)piperazin-4-ium-1-carboxamide Formula: C18H21ClN5O2+ MolecularWeight: 374.84464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)NC3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)NC3=CN=CC=C3

InChI

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