2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C18H21N5O+2 MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H19N5O/c24-18-16-6-2-1-5-15(16)13-20-23(18)14-21-9-11-22(12-10-21)17-7-3-4-8-19-17/h1-8,13H,9-12,14H2/p+2