6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-1,3-benzothiazol-2-one hydrochloride Openeye Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-1,3-benzothiazol-2-one hydrochloride CAS Name: 6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3-methyl-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-1,3-benzothiazol-2-one hydrochloride Traditional Name: 6-[3-[4-(2-methoxyphenyl)piperazino]propyl]-3-methyl-1,3-benzothiazol-2-one hydrochloride Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCN3CCN(CC3)C4=CC=CC=C4OC)SC1=O.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCN3CCN(CC3)C4=CC=CC=C4OC)SC1=O.Cl

InChI

InChI=1S/C22H27N3O2S.ClH/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2;/h3-4,7-10,16H,5-6,11-15H2,1-2H3;1H