(Z)-4-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-2-methyl-but-2-ene-1-sulfonate

Systemtic Name: (Z)-4-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-2-methyl-but-2-ene-1-sulfonate Openeye Name: (Z)-4-[2-(3,4-dimethoxyphenyl)ethylammonio]-2-methyl-but-2-ene-1-sulfonate CAS Name: (Z)-4-[2-(3,4-dimethoxyphenyl)ethylammonio]-2-methyl-2-butene-1-sulfonate IUPAC Name: (Z)-4-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-2-methylbut-2-ene-1-sulfonate Traditional Name: (Z)-4-(homoveratrylammonio)-2-methyl-but-2-ene-1-sulfonate Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH2+]CCC1=CC(=C(C=C1)OC)OC)CS(=O)(=O)[O-]

Isomeric SMILES

C/C(=C/C[NH2+]CCC1=CC(=C(C=C1)OC)OC)/CS(=O)(=O)[O-]

InChI

InChI=1S/C15H23NO5S/c1-12(11-22(17,18)19)6-8-16-9-7-13-4-5-14(20-2)15(10-13)21-3/h4-6,10,16H,7-9,11H2,1-3H3,(H,17,18,19)/b12-6-