1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H24N2O4S/c1-15-3-6-20(16(2)11-15)27(23,24)22-9-7-21(8-10-22)13-17-4-5-18-19(12-17)26-14-25-18/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1