[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N4O2/c1-17-5-3-4-6-19(17)16-26-11-13-27(14-12-26)23(28)21-15-24-25-22(21)18-7-9-20(29-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3,(H,24,25)/p+1