4-(2,5-dimethoxyphenyl)sulfanylbutylazanium

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfanylbutylazanium Openeye Name: 4-(2,5-dimethoxyphenyl)sulfanylbutylammonium CAS Name: 4-[(2,5-dimethoxyphenyl)thio]butylammonium IUPAC Name: 4-(2,5-dimethoxyphenyl)sulfanylbutylazanium Traditional Name: 4-[(2,5-dimethoxyphenyl)thio]butylammonium Formula: C12H20NO2S+ MolecularWeight: 242.3577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2S/c1-14-10-5-6-11(15-2)12(9-10)16-8-4-3-7-13/h5-6,9H,3-4,7-8,13H2,1-2H3/p+1