1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-11-21(16(2)10-19(15)26-3)29(24,25)23-8-6-22(7-9-23)13-17-4-5-18-20(12-17)28-14-27-18/h4-5,10-12H,6-9,13-14H2,1-3H3/p+1