3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O/c1-20-9-7-8-10-23(20)19-28-15-17-29(18-16-28)26(31)14-13-25-21(2)27-30(22(25)3)24-11-5-4-6-12-24/h4-12H,13-19H2,1-3H3/p+1