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

Systemtic Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethyl-methyl-azanium Openeye Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethyl-methyl-ammonium CAS Name: 2-[2,5-dimethoxy-4-(pentylthio)phenyl]ethyl-methylammonium IUPAC Name: 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethyl-methylazanium Traditional Name: 2-[4-(amylthio)-2,5-dimethoxy-phenyl]ethyl-methyl-ammonium Formula: C16H28NO2S+ MolecularWeight: 298.46402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)OC)CC[NH2+]C)OC

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)OC)CC[NH2+]C)OC

InChI

InChI=1S/C16H27NO2S/c1-5-6-7-10-20-16-12-14(18-3)13(8-9-17-2)11-15(16)19-4/h11-12,17H,5-10H2,1-4H3/p+1