3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-N-methyl-1-[(E)-(4-methylphenyl)methylideneamino]-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-N-methyl-1-[(E)-(4-methylphenyl)methylideneamino]-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]-N-methyl-5-oxo-1-[(E)-p-tolylmethyleneamino]-2H-triazol-3-ium-4-carboxamide CAS Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]-N-methyl-1-[(E)-(4-methylphenyl)methylideneamino]-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]-N-methyl-1-[(E)-(4-methylphenyl)methylideneamino]-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-[2-(4-chlorophenyl)-2-keto-ethyl]-5-keto-N-methyl-1-[(E)-(4-methylbenzylidene)amino]-2H-triazol-3-ium-4-carboxamide Formula: C20H19ClN5O3+ MolecularWeight: 412.84956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NN2C(=O)C(=[N+](N2)CC(=O)C3=CC=C(C=C3)Cl)C(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/N2C(=O)C(=[N+](N2)CC(=O)C3=CC=C(C=C3)Cl)C(=O)NC

InChI

InChI=1S/C20H18ClN5O3/c1-13-3-5-14(6-4-13)11-23-26-20(29)18(19(28)22-2)25(24-26)12-17(27)15-7-9-16(21)10-8-15/h3-11H,12H2,1-2H3,(H-,22,24,28,29)/p+1/b23-11+