1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(4-ethylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(4-ethylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(4-ethylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-[(4-ethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(4-ethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-ethylbenzyl)piperazin-4-ium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(N=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(N=C3C)C

InChI

InChI=1S/C18H26N4O2S/c1-4-16-5-7-17(8-6-16)13-21-9-11-22(12-10-21)25(23,24)18-14-20(3)19-15(18)2/h5-8,14H,4,9-13H2,1-3H3/p+1