1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H23N5O2/c1-14-15(2)23-25(20(27)18(14)12-21)13-24-10-8-16(9-11-24)19(26)22-17-6-4-3-5-7-17/h3-7,16H,8-11,13H2,1-2H3,(H,22,26)/p+1