N-(2-methoxyethyl)-2-[4-[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-[4-[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-isobutyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-isobutyl-4-keto-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C22H32N5O4+ MolecularWeight: 430.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NCCOC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NCCOC

InChI

InChI=1S/C22H31N5O4/c1-16(2)14-27-21(29)18-7-5-4-6-17(18)20(24-27)22(30)26-11-9-25(10-12-26)15-19(28)23-8-13-31-3/h4-7,16H,8-15H2,1-3H3,(H,23,28)/p+1