2-(3,4-dimethoxyphenyl)ethylazanium thiocyanate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethylazanium thiocyanate Openeye Name: 2-(3,4-dimethoxyphenyl)ethylammonium thiocyanate CAS Name: 2-(3,4-dimethoxyphenyl)ethylammonium thiocyanate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethylazanium thiocyanate Traditional Name: homoveratrylammonium thiocyanate Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH3+])OC.C(#N)[S-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH3+])OC.C(#N)[S-]

InChI

InChI=1S/C10H15NO2.CHNS/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;2-1-3/h3-4,7H,5-6,11H2,1-2H3;3H