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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4/c1-17-8-9-19(14-18(17)2)22-20(15-23-24-22)16-25-10-12-26(13-11-25)21-6-4-3-5-7-21/h3-9,14-15H,10-13,16H2,1-2H3,(H,23,24)/p+1