2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethyl-dimethyl-azanium

Systemtic Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethyl-dimethyl-azanium Openeye Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethyl-dimethyl-ammonium CAS Name: 2-[2,5-dimethoxy-4-(pentylthio)phenyl]ethyl-dimethylammonium IUPAC Name: 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethyl-dimethylazanium Traditional Name: 2-[4-(amylthio)-2,5-dimethoxy-phenyl]ethyl-dimethyl-ammonium Formula: C17H30NO2S+ MolecularWeight: 312.4906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)OC)CC[NH+](C)C)OC

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)OC)CC[NH+](C)C)OC

InChI

InChI=1S/C17H29NO2S/c1-6-7-8-11-21-17-13-15(19-4)14(9-10-18(2)3)12-16(17)20-5/h12-13H,6-11H2,1-5H3/p+1