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

Systemtic Name: 2-[4-[(4-methyl-1-oxidanylidene-phthalazin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-methyl-1-oxo-phthalazin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-methyl-1-oxo-2-phthalazinyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(1-keto-4-methyl-phthalazin-2-yl)methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C20H21N6O+ MolecularWeight: 361.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H20N6O/c1-15-17-4-2-3-5-18(17)20(27)26(23-15)14-24-8-10-25(11-9-24)19-12-16(13-21)6-7-22-19/h2-7,12H,8-11,14H2,1H3/p+1