2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]ethanamide Openeye Name: N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-[6-oxo-3-(p-tolyl)pyridazin-1-yl]acetamide CAS Name: 2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-[6-keto-3-(p-tolyl)pyridazin-1-yl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCC[NH+]1CCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N4O2/c1-16-6-8-18(9-7-16)19-10-11-21(27)25(23-19)15-20(26)22-12-14-24-13-4-3-5-17(24)2/h6-11,17H,3-5,12-15H2,1-2H3,(H,22,26)/p+1