4-[3-(methylamino)propoxy]thioxanthen-9-one hydrochloride

Systemtic Name: 4-[3-(methylamino)propoxy]thioxanthen-9-one hydrochloride Openeye Name: 4-[3-(methylamino)propoxy]thioxanthen-9-one hydrochloride CAS Name: 4-[3-(methylamino)propoxy]-9-thioxanthenone hydrochloride IUPAC Name: 4-[3-(methylamino)propoxy]thioxanthen-9-one hydrochloride Traditional Name: 4-[3-(methylamino)propoxy]thioxanthen-9-one hydrochloride Formula: C17H18ClNO2S MolecularWeight: 335.84832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3C2=O.Cl

Isomeric SMILES

CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3C2=O.Cl

InChI

InChI=1S/C17H17NO2S.ClH/c1-18-10-5-11-20-14-8-4-7-13-16(19)12-6-2-3-9-15(12)21-17(13)14;/h2-4,6-9,18H,5,10-11H2,1H3;1H