6-(2-methylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one

Systemtic Name: 6-(2-methylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Openeye Name: 6-(o-tolyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one CAS Name: 6-(2-methylphenyl)-2-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridazinone IUPAC Name: 6-(2-methylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Traditional Name: 6-(o-tolyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC[NH+]3CCCCC3

InChI

InChI=1S/C18H23N3O/c1-15-7-3-4-8-16(15)17-9-10-18(22)21(19-17)14-13-20-11-5-2-6-12-20/h3-4,7-10H,2,5-6,11-14H2,1H3/p+1