1-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C17H23N4O4S+ MolecularWeight: 379.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C17H22N4O4S/c1-13-17(11-19(2)18-13)26(22,23)21-7-5-20(6-8-21)10-14-3-4-15-16(9-14)25-12-24-15/h3-4,9,11H,5-8,10,12H2,1-2H3/p+1