2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(phenylsulfonyl)ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(phenylsulfonyl)ethyl]azanium Openeye Name: 2-(benzenesulfonyl)ethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2-(benzenesulfonyl)ethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: 2-(benzenesulfonyl)ethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: 2-besylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C18H22NO4S+ MolecularWeight: 348.43658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-19(9-12-24(20,21)16-5-3-2-4-6-16)14-15-7-8-17-18(13-15)23-11-10-22-17/h2-8,13H,9-12,14H2,1H3/p+1