diethyl 2-acetamido-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]malonic acid diethyl ester Formula: C22H33N2O5+ MolecularWeight: 405.50782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCC(CC1)CC2=CC=CC=C2)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[NH+]1CCC(CC1)CC2=CC=CC=C2)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H32N2O5/c1-4-28-20(26)22(23-17(3)25,21(27)29-5-2)16-24-13-11-19(12-14-24)15-18-9-7-6-8-10-18/h6-10,19H,4-5,11-16H2,1-3H3,(H,23,25)/p+1