[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]methanone CAS Name: [1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]methanone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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