2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[2-keto-2-(3-methoxyphenyl)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H24N4O3/c1-21-7-4-8-22(10-9-21)16-12-19(25)23(20-13-16)14-18(24)15-5-3-6-17(11-15)26-2/h3,5-6,11-13H,4,7-10,14H2,1-2H3/p+1