3-methoxy-4-(piperidin-1-ylmethyl)thioxanthen-9-one hydrochloride

Systemtic Name: 3-methoxy-4-(piperidin-1-ylmethyl)thioxanthen-9-one hydrochloride Openeye Name: 3-methoxy-4-(1-piperidylmethyl)thioxanthen-9-one hydrochloride CAS Name: 3-methoxy-4-(1-piperidinylmethyl)-9-thioxanthenone hydrochloride IUPAC Name: 3-methoxy-4-(piperidin-1-ylmethyl)thioxanthen-9-one hydrochloride Traditional Name: 3-methoxy-4-(piperidinomethyl)thioxanthen-9-one hydrochloride Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3S2)CN4CCCCC4.Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3S2)CN4CCCCC4.Cl

InChI

InChI=1S/C20H21NO2S.ClH/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21;/h3-4,7-10H,2,5-6,11-13H2,1H3;1H