4-[2,5-dimethyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H33N5O2+2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C24H31N5O2/c1-17-15-21(22(30)16-27-13-11-25(4)12-14-27)18(2)28(17)23-19(3)26(5)29(24(23)31)20-9-7-6-8-10-20/h6-10,15H,11-14,16H2,1-5H3/p+2