4-octoxy-3-(propylsulfanylmethyl)aniline hydrochloride

Systemtic Name: 4-octoxy-3-(propylsulfanylmethyl)aniline hydrochloride Openeye Name: 4-octoxy-3-(propylsulfanylmethyl)aniline hydrochloride CAS Name: 4-octoxy-3-[(propylthio)methyl]aniline hydrochloride IUPAC Name: 4-octoxy-3-(propylsulfanylmethyl)aniline hydrochloride Traditional Name: [4-octoxy-3-[(propylthio)methyl]phenyl]amine hydrochloride Formula: C18H32ClNOS MolecularWeight: 345.97078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)CSCCC.Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)CSCCC.Cl

InChI

InChI=1S/C18H31NOS.ClH/c1-3-5-6-7-8-9-12-20-18-11-10-17(19)14-16(18)15-21-13-4-2;/h10-11,14H,3-9,12-13,15,19H2,1-2H3;1H