pyridin-2-yl 1-(4-chlorophenyl)carbonyl-3-oxidanylidene-2-propyl-2-(1,2,4-triazol-4-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: pyridin-2-yl 1-(4-chlorophenyl)carbonyl-3-oxidanylidene-2-propyl-2-(1,2,4-triazol-4-yl)piperazin-1-ium-1-carboxylate Openeye Name: 2-pyridyl 1-(4-chlorobenzoyl)-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazin-1-ium-1-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)-1-piperazin-1-iumcarboxylic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 1-(4-chlorobenzoyl)-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(4-chlorobenzoyl)-3-keto-2-propyl-2-(1,2,4-triazol-4-yl)piperazin-1-ium-1-carboxylic acid 2-pyridyl ester Formula: C22H22ClN6O4+ MolecularWeight: 469.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NCC[N+]1(C(=O)C2=CC=C(C=C2)Cl)C(=O)OC3=CC=CC=N3)N4C=NN=C4

Isomeric SMILES

CCCC1(C(=O)NCC[N+]1(C(=O)C2=CC=C(C=C2)Cl)C(=O)OC3=CC=CC=N3)N4C=NN=C4

InChI

InChI=1S/C22H21ClN6O4/c1-2-10-22(28-14-26-27-15-28)20(31)25-12-13-29(22,19(30)16-6-8-17(23)9-7-16)21(32)33-18-5-3-4-11-24-18/h3-9,11,14-15H,2,10,12-13H2,1H3/p+1