ethyl 2-cyano-2-[1,2,5-trimethyl-4-(phenylmethyl)piperidin-1-ium-4-yl]ethanoate chloride

Systemtic Name: ethyl 2-cyano-2-[1,2,5-trimethyl-4-(phenylmethyl)piperidin-1-ium-4-yl]ethanoate chloride Openeye Name: ethyl 2-(4-benzyl-1,2,5-trimethyl-piperidin-1-ium-4-yl)-2-cyano-acetate chloride CAS Name: 2-cyano-2-[1,2,5-trimethyl-4-(phenylmethyl)-4-piperidin-1-iumyl]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-1-ium-4-yl)-2-cyanoacetate chloride Traditional Name: 2-(4-benzyl-1,2,5-trimethyl-piperidin-1-ium-4-yl)-2-cyano-acetic acid ethyl ester chloride Formula: C20H29ClN2O2 MolecularWeight: 364.90946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CC([NH+](CC1C)C)C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)C(C#N)C1(CC([NH+](CC1C)C)C)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H28N2O2.ClH/c1-5-24-19(23)18(13-21)20(12-17-9-7-6-8-10-17)11-16(3)22(4)14-15(20)2;/h6-10,15-16,18H,5,11-12,14H2,1-4H3;1H