1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-15-11-16(2)18(4)22(17(15)3)29(25,26)24-9-7-23(8-10-24)13-19-5-6-20-21(12-19)28-14-27-20/h5-6,11-12H,7-10,13-14H2,1-4H3/p+1