dimethyl 2-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanedioate chloride

Systemtic Name: dimethyl 2-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanedioate chloride Openeye Name: dimethyl 2-(1-benzylpiperidin-1-ium-4-yl)propanedioate chloride CAS Name: 2-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanedioic acid dimethyl ester chloride IUPAC Name: dimethyl 2-(1-benzylpiperidin-1-ium-4-yl)propanedioate chloride Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)malonic acid dimethyl ester chloride Formula: C17H24ClNO4 MolecularWeight: 341.82976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC.[Cl-]

Isomeric SMILES

COC(=O)C(C1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC.[Cl-]

InChI

InChI=1S/C17H23NO4.ClH/c1-21-16(19)15(17(20)22-2)14-8-10-18(11-9-14)12-13-6-4-3-5-7-13;/h3-7,14-15H,8-12H2,1-2H3;1H