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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-(2,3,4-trimethylphenyl)sulfonyl-piperazin-1-ium Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15-4-7-21(17(3)16(15)2)28(24,25)23-10-8-22(9-11-23)13-18-5-6-19-20(12-18)27-14-26-19/h4-7,12H,8-11,13-14H2,1-3H3/p+1