2-(4-bromophenyl)sulfonylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: 2-(4-bromophenyl)sulfonylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: 2-(4-bromophenyl)sulfonylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2-(4-bromophenyl)sulfonylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: 2-(4-bromophenyl)sulfonylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: 2-brosylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C18H21BrNO4S+ MolecularWeight: 427.33264

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H20BrNO4S/c1-20(8-11-25(21,22)16-5-3-15(19)4-6-16)13-14-2-7-17-18(12-14)24-10-9-23-17/h2-7,12H,8-11,13H2,1H3/p+1