1-(2,3-dimethylphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(1-phenyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1-phenylpyrazol-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=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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