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

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C16H22N4O2S/c1-14-16(13-18(2)17-14)23(21,22)20-10-8-19(9-11-20)12-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3/p+1