N-methyl-1-(4-methylsulfanylphenyl)butan-2-amine hydrochloride

Systemtic Name: N-methyl-1-(4-methylsulfanylphenyl)butan-2-amine hydrochloride Openeye Name: N-methyl-1-(4-methylsulfanylphenyl)butan-2-amine hydrochloride CAS Name: N-methyl-1-[4-(methylthio)phenyl]-2-butanamine hydrochloride IUPAC Name: N-methyl-1-(4-methylsulfanylphenyl)butan-2-amine hydrochloride Traditional Name: methyl-[1-[4-(methylthio)benzyl]propyl]amine hydrochloride Formula: C12H20ClNS MolecularWeight: 245.8119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)SC)NC.Cl

Isomeric SMILES

CCC(CC1=CC=C(C=C1)SC)NC.Cl

InChI

InChI=1S/C12H19NS.ClH/c1-4-11(13-2)9-10-5-7-12(14-3)8-6-10;/h5-8,11,13H,4,9H2,1-3H3;1H