2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]ethylazanium

Systemtic Name: 2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]ethylazanium Openeye Name: 2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]ethylammonium CAS Name: 2-[2-(2,3-dimethylphenoxy)ethylthio]ethylammonium IUPAC Name: 2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]ethylazanium Traditional Name: 2-[2-(2,3-dimethylphenoxy)ethylthio]ethylammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCSCC[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCSCC[NH3+])C

InChI

InChI=1S/C12H19NOS/c1-10-4-3-5-12(11(10)2)14-7-9-15-8-6-13/h3-5H,6-9,13H2,1-2H3/p+1