diethyl-methyl-[2-[2-[3-methyl-1-oxidanylidene-4-(phenylmethyl)phthalazin-3-ium-2-yl]ethanoyloxy]ethyl]azanium diiodide

Systemtic Name: diethyl-methyl-[2-[2-[3-methyl-1-oxidanylidene-4-(phenylmethyl)phthalazin-3-ium-2-yl]ethanoyloxy]ethyl]azanium diiodide Openeye Name: 2-[2-(4-benzyl-3-methyl-1-oxo-phthalazin-3-ium-2-yl)acetyl]oxyethyl-diethyl-methyl-ammonium diiodide CAS Name: diethyl-methyl-[2-[2-[3-methyl-1-oxo-4-(phenylmethyl)-2-phthalazin-3-iumyl]-1-oxoethoxy]ethyl]ammonium diiodide IUPAC Name: 2-[2-(4-benzyl-3-methyl-1-oxophthalazin-3-ium-2-yl)acetyl]oxyethyl-diethyl-methylazanium diiodide Traditional Name: 2-[2-(4-benzyl-1-keto-3-methyl-phthalazin-3-ium-2-yl)acetyl]oxyethyl-diethyl-methyl-ammonium diiodide Formula: C25H33I2N3O3 MolecularWeight: 677.35676

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)CN1C(=O)C2=CC=CC=C2C(=[N+]1C)CC3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)CN1C(=O)C2=CC=CC=C2C(=[N+]1C)CC3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C25H33N3O3.2HI/c1-5-28(4,6-2)16-17-31-24(29)19-27-25(30)22-15-11-10-14-21(22)23(26(27)3)18-20-12-8-7-9-13-20;;/h7-15H,5-6,16-19H2,1-4H3;2*1H/q+2;;/p-2