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

Systemtic Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-1,3-benzothiazol-2-one hydrochloride Openeye Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-1,3-benzothiazol-2-one hydrochloride CAS Name: 6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3H-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-1,3-benzothiazol-2-one hydrochloride Traditional Name: 6-[3-[4-(2-methoxyphenyl)piperazino]propyl]-3H-1,3-benzothiazol-2-one hydrochloride Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCC3=CC4=C(C=C3)NC(=O)S4.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC3=CC4=C(C=C3)NC(=O)S4.Cl

InChI

InChI=1S/C21H25N3O2S.ClH/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17;/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25);1H