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

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-pyridazinecarbonitrile IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H24N4O/c1-15-16(2)22-24(20(25)19(15)13-21)14-23-10-8-18(9-11-23)12-17-6-4-3-5-7-17/h3-7,18H,8-12,14H2,1-2H3/p+1