1-(2,3-dimethylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4)C

InChI

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