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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Formula: C23H24ClN4O+ MolecularWeight: 407.91586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O/c24-22-21(18-25-28(23(22)29)20-11-5-2-6-12-20)27-16-14-26(15-17-27)13-7-10-19-8-3-1-4-9-19/h1-12,18H,13-17H2/p+1/b10-7+