5,6-dimethyl-3-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H21N5O/c1-14-15(2)20-23(18(24)17(14)12-19)13-21-8-10-22(11-9-21)16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3/p+1