5-(4-methylpiperazin-4-ium-1-yl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Openeye Name: 2-[(E)-cinnamyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-[(E)-3-phenylprop-2-enyl]-3-pyridazinone IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Traditional Name: 2-[(E)-cinnamyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O/c1-20-10-12-21(13-11-20)17-14-18(23)22(19-15-17)9-5-8-16-6-3-2-4-7-16/h2-8,14-15H,9-13H2,1H3/p+1/b8-5+