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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C23H29N4+ MolecularWeight: 361.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4/c1-18-8-9-21(14-19(18)2)23-22(15-24-25-23)17-27-12-10-26(11-13-27)16-20-6-4-3-5-7-20/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,25)/p+1