methyl-[3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]propyl]azanium Traditional Name: benzyl-[3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]propyl]-methyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-3-15-27-23(29)20-13-8-7-12-19(20)21(25-27)22(28)24-14-9-16-26(2)17-18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,28)/p+1