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

Systemtic Name: N-methyl-4-(2-phenylsulfanylphenoxy)butan-1-amine hydrochloride Openeye Name: N-methyl-4-(2-phenylsulfanylphenoxy)butan-1-amine hydrochloride CAS Name: N-methyl-4-[2-(phenylthio)phenoxy]-1-butanamine hydrochloride IUPAC Name: N-methyl-4-(2-phenylsulfanylphenoxy)butan-1-amine hydrochloride Traditional Name: methyl-[4-[2-(phenylthio)phenoxy]butyl]amine hydrochloride Formula: C17H22ClNOS MolecularWeight: 323.88068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCCCOC1=CC=CC=C1SC2=CC=CC=C2.Cl

Isomeric SMILES

CNCCCCOC1=CC=CC=C1SC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H21NOS.ClH/c1-18-13-7-8-14-19-16-11-5-6-12-17(16)20-15-9-3-2-4-10-15;/h2-6,9-12,18H,7-8,13-14H2,1H3;1H