2-(2-methylpropyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(2-methylpropyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-isobutyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-(2-methylpropyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-isobutyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H27N5O2/c1-17(2)15-28-22(29)20-6-4-3-5-19(20)21(25-28)23(30)27-13-11-26(12-14-27)16-18-7-9-24-10-8-18/h3-10,17H,11-16H2,1-2H3/p+1