dimethyl-[3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-(phenylmethyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-(phenylmethyl)amino]propyl]azanium Openeye Name: 3-[benzyl-(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-(phenylmethyl)amino]propyl]ammonium IUPAC Name: 3-[benzyl-(3-methyl-4-oxophthalazine-1-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-(4-keto-3-methyl-phthalazine-1-carbonyl)amino]propyl-dimethyl-ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-24(2)14-9-15-26(16-17-10-5-4-6-11-17)22(28)20-18-12-7-8-13-19(18)21(27)25(3)23-20/h4-8,10-13H,9,14-16H2,1-3H3/p+1