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

Systemtic Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-[(1-ethyl-4-pyrazolyl)sulfonyl]-4-phenethylpiperazin-4-ium IUPAC Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H24N4O2S/c1-2-20-15-17(14-18-20)24(22,23)21-12-10-19(11-13-21)9-8-16-6-4-3-5-7-16/h3-7,14-15H,2,8-13H2,1H3/p+1