2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCN1C(=O)C=C(C=N1)N2CCC[NH+](CC2)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CN1C(=O)C=C(C=N1)N2CCC[NH+](CC2)C)/C)C

InChI

InChI=1S/C20H32N4O/c1-17(2)7-5-8-18(3)9-12-24-20(25)15-19(16-21-24)23-11-6-10-22(4)13-14-23/h7,9,15-16H,5-6,8,10-14H2,1-4H3/p+1/b18-9+