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

Systemtic Name: diethyl-[2-[1-oxidanylidene-4-[(4-propan-2-yloxyphenyl)methyl]phthalazin-2-yl]ethyl]azanium chloride Openeye Name: diethyl-[2-[4-[(4-isopropoxyphenyl)methyl]-1-oxo-phthalazin-2-yl]ethyl]ammonium chloride CAS Name: diethyl-[2-[1-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2-phthalazinyl]ethyl]ammonium chloride IUPAC Name: diethyl-[2-[1-oxo-4-[(4-propan-2-yloxyphenyl)methyl]phthalazin-2-yl]ethyl]azanium chloride Traditional Name: diethyl-[2-[4-(4-isopropoxybenzyl)-1-keto-phthalazin-2-yl]ethyl]ammonium chloride Formula: C24H32ClN3O2 MolecularWeight: 429.98278

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)OC(C)C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)OC(C)C.[Cl-]

InChI

InChI=1S/C24H31N3O2.ClH/c1-5-26(6-2)15-16-27-24(28)22-10-8-7-9-21(22)23(25-27)17-19-11-13-20(14-12-19)29-18(3)4;/h7-14,18H,5-6,15-17H2,1-4H3;1H