3-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylpropylazanium

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylpropylazanium Openeye Name: 3-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylpropylammonium CAS Name: 3-[[4-(3,4-dimethoxyphenyl)phenyl]thio]propylammonium IUPAC Name: 3-[4-(3,4-dimethoxyphenyl)phenyl]sulfanylpropylazanium Traditional Name: 3-[[4-(3,4-dimethoxyphenyl)phenyl]thio]propylammonium Formula: C17H22NO2S+ MolecularWeight: 304.42708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2S/c1-19-16-9-6-14(12-17(16)20-2)13-4-7-15(8-5-13)21-11-3-10-18/h4-9,12H,3,10-11,18H2,1-2H3/p+1