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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

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