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3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-azaniumyl]propane-1-sulfonate

3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-azaniumyl]propane-1-sulfonate

Systemtic Name:3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-azaniumyl]propane-1-sulfonate
Openeye Name:3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-ammonio]propane-1-sulfonate
CAS Name:3-[2-(3,4-dimethoxyphenyl)ethyl-methylammonio]-1-propanesulfonate
IUPAC Name:3-[2-(3,4-dimethoxyphenyl)ethyl-methylazaniumyl]propane-1-sulfonate
Traditional Name:3-[homoveratryl(methyl)ammonio]propane-1-sulfonate
Formula: C14H23NO5S
MolecularWeight: 317.40112
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCS(=O)(=O)[O-])CCC1=CC(=C(C=C1)OC)OC


Isomeric SMILES

C[NH+](CCCS(=O)(=O)[O-])CCC1=CC(=C(C=C1)OC)OC


InChI

InChI=1S/C14H23NO5S/c1-15(8-4-10-21(16,17)18)9-7-12-5-6-13(19-2)14(11-12)20-3/h5-6,11H,4,7-10H2,1-3H3,(H,16,17,18)


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