[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-oxoethyl]-methylammonium IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-(2,6-dimethylanilino)-2-keto-ethyl]-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-keto-ethyl]-methyl-ammonium Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC(=O)C2=C(N(C(=C2)C)C3=NC=NN3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC(=O)C2=C(N(C(=C2)C)C3=NC=NN3)C

InChI

InChI=1S/C21H26N6O2/c1-13-7-6-8-14(2)20(13)24-19(29)11-26(5)10-18(28)17-9-15(3)27(16(17)4)21-22-12-23-25-21/h6-9,12H,10-11H2,1-5H3,(H,24,29)(H,22,23,25)/p+1