1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4O2S/c1-18-21(17-24(2)23-18)29(27,28)26-15-13-25(14-16-26)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3/p+1