1-(1-ethylpyrazol-4-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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