6-bromanyl-3-methyl-4-(1-phenacylpiperidin-4-yl)-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 6-bromanyl-3-methyl-4-(1-phenacylpiperidin-4-yl)-1,3-benzothiazol-2-one hydrochloride Openeye Name: 6-bromo-3-methyl-4-(1-phenacyl-4-piperidyl)-1,3-benzothiazol-2-one hydrochloride CAS Name: 6-bromo-3-methyl-4-(1-phenacyl-4-piperidinyl)-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 6-bromo-3-methyl-4-(1-phenacylpiperidin-4-yl)-1,3-benzothiazol-2-one hydrochloride Traditional Name: 6-bromo-3-methyl-4-(1-phenacyl-4-piperidyl)-1,3-benzothiazol-2-one hydrochloride Formula: C21H22BrClN2O2S MolecularWeight: 481.83358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C3CCN(CC3)CC(=O)C4=CC=CC=C4)Br)SC1=O.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2C3CCN(CC3)CC(=O)C4=CC=CC=C4)Br)SC1=O.Cl

InChI

InChI=1S/C21H21BrN2O2S.ClH/c1-23-20-17(11-16(22)12-19(20)27-21(23)26)14-7-9-24(10-8-14)13-18(25)15-5-3-2-4-6-15;/h2-6,11-12,14H,7-10,13H2,1H3;1H