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

Systemtic Name: 2-[2-(2,4-dimethylphenoxy)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[2-(2,4-dimethylphenoxy)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[2-(2,4-dimethylphenoxy)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[2-(2,4-dimethylphenoxy)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[2-(2,4-dimethylphenoxy)ethyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C20H29N4O2+ MolecularWeight: 357.46986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C20H28N4O2/c1-16-5-6-19(17(2)13-16)26-12-11-24-20(25)14-18(15-21-24)23-8-4-7-22(3)9-10-23/h5-6,13-15H,4,7-12H2,1-3H3/p+1