(2,4-dimethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC)C

InChI

InChI=1S/C21H24N4O2/c1-14-9-10-16(15(2)11-14)12-24(4)13-25-21(27)18-8-6-5-7-17(18)19(23-25)20(26)22-3/h5-11H,12-13H2,1-4H3,(H,22,26)/p+1