2-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylethylazanium

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylethylazanium Openeye Name: 2-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylethylammonium CAS Name: 2-[[4-(3,4-dimethoxyphenyl)phenyl]thio]ethylammonium IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylethylazanium Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)phenyl]thio]ethylammonium Formula: C16H20NO2S+ MolecularWeight: 290.4005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)SCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)SCC[NH3+])OC

InChI

InChI=1S/C16H19NO2S/c1-18-15-8-5-13(11-16(15)19-2)12-3-6-14(7-4-12)20-10-9-17/h3-8,11H,9-10,17H2,1-2H3/p+1