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

Systemtic Name: 2-propyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-propyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-propyl-1-phthalazinone IUPAC Name: 2-propyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-propyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-8-4-3-7-16(17)19(23-26)21(28)25-14-12-24(13-15-25)18-9-5-6-10-22-18/h3-10H,2,11-15H2,1H3/p+1