1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC)C

InChI

InChI=1S/C18H26N4O4S/c1-14-18(13-20(2)19-14)27(23,24)22-9-7-21(8-10-22)12-15-11-16(25-3)5-6-17(15)26-4/h5-6,11,13H,7-10,12H2,1-4H3/p+1