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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-14-18(15(2)20(3)19-14)13-21-9-11-22(12-10-21)26(23,24)17-7-5-16(25-4)6-8-17/h5-8H,9-13H2,1-4H3/p+1