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2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methyl-azanium

2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methyl-azanium

Systemtic Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methyl-azanium
Openeye Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methyl-ammonium
CAS Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methylammonium
IUPAC Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methylazanium
Traditional Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methyl-ammonium
Formula: C20H26NO4S+
MolecularWeight: 376.48974
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+](C)CC2=CC3=C(C=C2)OCCO3


Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+](C)CC2=CC3=C(C=C2)OCCO3


InChI

InChI=1S/C20H25NO4S/c1-15-4-5-16(2)20(12-15)26(22,23)11-8-21(3)14-17-6-7-18-19(13-17)25-10-9-24-18/h4-7,12-13H,8-11,14H2,1-3H3/p+1


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