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

Systemtic Name: (4-ethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: (4-ethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: (4-ethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: (4-ethylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: (4-ethylbenzyl)-[[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:

CCC1=CC=C(C=C1)C[NH+](C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC

InChI

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