2-(4-bromophenyl)-6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-1,4-dihydropyridazin-3-one

Systemtic Name: 2-(4-bromophenyl)-6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-1,4-dihydropyridazin-3-one Openeye Name: 2-(4-bromophenyl)-6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1,4-dihydropyridazin-3-one CAS Name: 2-(4-bromophenyl)-6-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-1,4-dihydropyridazin-3-one IUPAC Name: 2-(4-bromophenyl)-6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1,4-dihydropyridazin-3-one Traditional Name: 2-(4-bromophenyl)-6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1,4-dihydropyridazin-3-one Formula: C21H28BrN4O2+ MolecularWeight: 448.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H27BrN4O2/c22-16-6-8-18(9-7-16)26-20(27)11-10-19(23-26)21(28)25-14-12-24(13-15-25)17-4-2-1-3-5-17/h6-10,17,23H,1-5,11-15H2/p+1