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

Systemtic Name: [4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]-propyl-ammonium CAS Name: [4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl-(phenylmethyl)-propylammonium IUPAC Name: benzyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]-propylazanium Traditional Name: benzyl-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-propyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-3-13-24(14-16-9-5-4-6-10-16)15-25-21(27)18-12-8-7-11-17(18)19(23-25)20(26)22-2/h4-12H,3,13-15H2,1-2H3,(H,22,26)/p+1