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

Systemtic Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxo-ethyl]-[2-(4-methoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-keto-ethyl]-[2-keto-2-(p-anisidino)ethyl]-methyl-ammonium Formula: C20H25N6O3+ MolecularWeight: 397.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)C[NH+](C)CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)C[NH+](C)CC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N6O3/c1-13-9-17(14(2)26(13)20-21-12-22-24-20)18(27)10-25(3)11-19(28)23-15-5-7-16(29-4)8-6-15/h5-9,12H,10-11H2,1-4H3,(H,23,28)(H,21,22,24)/p+1