2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethylazanium

Systemtic Name: 2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethylazanium Openeye Name: 2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethylammonium CAS Name: 2-[2,5-dimethoxy-4-(propylthio)phenyl]ethylammonium IUPAC Name: 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethylazanium Traditional Name: 2-[2,5-dimethoxy-4-(propylthio)phenyl]ethylammonium Formula: C13H22NO2S+ MolecularWeight: 256.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C(=C1)OC)CC[NH3+])OC

Isomeric SMILES

CCCSC1=C(C=C(C(=C1)OC)CC[NH3+])OC

InChI

InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3/p+1