2-(5-methyl-1,3-thiazol-3-ium-3-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride

Systemtic Name: 2-(5-methyl-1,3-thiazol-3-ium-3-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(5-methylthiazol-3-ium-3-yl)ethanone chloride CAS Name: 2-(5-methyl-3-thiazol-3-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone chloride IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(5-methyl-1,3-thiazol-3-ium-3-yl)ethanone chloride Traditional Name: 1-(4-benzylpiperidino)-2-(5-methylthiazol-3-ium-3-yl)ethanone chloride Formula: C18H23ClN2OS MolecularWeight: 350.90602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CS1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C[N+](=CS1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H23N2OS.ClH/c1-15-12-19(14-22-15)13-18(21)20-9-7-17(8-10-20)11-16-5-3-2-4-6-16;/h2-6,12,14,17H,7-11,13H2,1H3;1H/q+1;/p-1