2-[4-[(4-butoxyphenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[4-[(4-butoxyphenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[4-[(4-butoxyphenyl)methyl]-1-oxo-phthalazin-2-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[4-[(4-butoxyphenyl)methyl]-1-oxo-2-phthalazinyl]ethyl-diethylammonium chloride IUPAC Name: 2-[4-[(4-butoxyphenyl)methyl]-1-oxophthalazin-2-yl]ethyl-diethylazanium chloride Traditional Name: 2-[4-(4-butoxybenzyl)-1-keto-phthalazin-2-yl]ethyl-diethyl-ammonium chloride Formula: C25H34ClN3O2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC[NH+](CC)CC.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC[NH+](CC)CC.[Cl-]

InChI

InChI=1S/C25H33N3O2.ClH/c1-4-7-18-30-21-14-12-20(13-15-21)19-24-22-10-8-9-11-23(22)25(29)28(26-24)17-16-27(5-2)6-3;/h8-15H,4-7,16-19H2,1-3H3;1H