2-(2-methylpropyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(2-methylpropyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-isobutyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-(2-methylpropyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-isobutyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C22H25N5O2/c1-16(2)15-27-21(28)19-6-4-3-5-18(19)20(24-27)22(29)26-13-11-25(12-14-26)17-7-9-23-10-8-17/h3-10,16H,11-15H2,1-2H3/p+1