(5-methyl-1,3-diphenyl-pyrazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methyl-1,3-diphenyl-pyrazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methyl-1,3-diphenyl-pyrazol-4-yl)methanone CAS Name: (5-methyl-1,3-diphenyl-4-pyrazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methyl-1,3-diphenylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methyl-1,3-diphenyl-pyrazol-4-yl)methanone Formula: C28H29N4O+ MolecularWeight: 437.55606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c1-22-26(28(33)31-19-17-30(18-20-31)21-23-11-5-2-6-12-23)27(24-13-7-3-8-14-24)29-32(22)25-15-9-4-10-16-25/h2-16H,17-21H2,1H3/p+1