4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one hydrochloride

Systemtic Name: 4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one hydrochloride Openeye Name: 4-methyl-1-[2-(1-piperidyl)ethylamino]thioxanthen-9-one hydrochloride CAS Name: 4-methyl-1-[2-(1-piperidinyl)ethylamino]-9-thioxanthenone hydrochloride IUPAC Name: 4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one hydrochloride Traditional Name: 4-methyl-1-(2-piperidinoethylamino)thioxanthen-9-one hydrochloride Formula: C21H25ClN2OS MolecularWeight: 388.954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=CC=CC=C4S2.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=CC=CC=C4S2.Cl

InChI

InChI=1S/C21H24N2OS.ClH/c1-15-9-10-17(22-11-14-23-12-5-2-6-13-23)19-20(24)16-7-3-4-8-18(16)25-21(15)19;/h3-4,7-10,22H,2,5-6,11-14H2,1H3;1H