1-(2-methyl-1,3-benzothiazol-6-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one hydrochloride

Systemtic Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one hydrochloride Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one hydrochloride CAS Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone hydrochloride IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one hydrochloride Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one hydrochloride Formula: C23H27ClN2OS MolecularWeight: 414.99128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H26N2OS.ClH/c1-17-24-21-9-8-20(15-23(21)27-17)22(26)10-7-18-11-13-25(14-12-18)16-19-5-3-2-4-6-19;/h2-6,8-9,15,18H,7,10-14,16H2,1H3;1H