(4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: (4-tert-butylbenzyl)-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-23(2,3)17-12-10-16(11-13-17)14-26(5)15-27-22(29)19-9-7-6-8-18(19)20(25-27)21(28)24-4/h6-13H,14-15H2,1-5H3,(H,24,28)/p+1