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

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4S/c1-14-17(15(2)21(3)20-14)13-22-8-10-23(11-9-22)28(24,25)16-6-7-18(26-4)19(12-16)27-5/h6-7,12H,8-11,13H2,1-5H3/p+1