4-(3,4-dimethoxyphenyl)sulfanylbutylazanium

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfanylbutylazanium Openeye Name: 4-(3,4-dimethoxyphenyl)sulfanylbutylammonium CAS Name: 4-[(3,4-dimethoxyphenyl)thio]butylammonium IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfanylbutylazanium Traditional Name: 4-[(3,4-dimethoxyphenyl)thio]butylammonium Formula: C12H20NO2S+ MolecularWeight: 242.3577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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