1-(4-chlorophenyl)-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 1-(4-chlorophenyl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-6-methyl-pyridazin-4-one CAS Name: 1-(4-chlorophenyl)-6-methyl-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-4-pyridazinone IUPAC Name: 1-(4-chlorophenyl)-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]pyridazin-4-one Traditional Name: 1-(4-chlorophenyl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-6-methyl-pyridazin-4-one Formula: C25H26ClN4O2+ MolecularWeight: 449.95254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4O2/c1-19-18-23(31)24(27-30(19)22-11-9-21(26)10-12-22)25(32)29-16-14-28(15-17-29)13-5-8-20-6-3-2-4-7-20/h2-12,18H,13-17H2,1H3/p+1/b8-5+