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

Systemtic Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium Openeye Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxo-ethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium IUPAC Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium Traditional Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-keto-ethyl]-(2-keto-2-mesidino-ethyl)-methyl-ammonium Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2/c1-13-7-14(2)21(15(3)8-13)25-20(30)11-27(6)10-19(29)18-9-16(4)28(17(18)5)22-23-12-24-26-22/h7-9,12H,10-11H2,1-6H3,(H,25,30)(H,23,24,26)/p+1