1-(phenylmethyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4O2S/c1-15-18(16(2)20(3)19-15)13-21-9-11-22(12-10-21)25(23,24)14-17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3/p+1