1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-mesitylsulfonyl-piperazin-1-ium Formula: C22H28ClN2O4S+ MolecularWeight: 451.98672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)Cl)COCO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)Cl)COCO4)C

InChI

InChI=1S/C22H27ClN2O4S/c1-15-8-16(2)22(17(3)9-15)30(26,27)25-6-4-24(5-7-25)12-18-10-20(23)11-19-13-28-14-29-21(18)19/h8-11H,4-7,12-14H2,1-3H3/p+1