2-[4-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C23H21N6OS+ MolecularWeight: 429.51744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C23H20N6OS/c24-15-17-7-8-25-21(14-17)28-11-9-27(10-12-28)16-29-23(30)19-5-2-1-4-18(19)22(26-29)20-6-3-13-31-20/h1-8,13-14H,9-12,16H2/p+1