diethyl 2-acetamido-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanedioate

Systemtic Name: diethyl 2-acetamido-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanedioate Openeye Name: diethyl 2-acetamido-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanedioate CAS Name: 2-acetamido-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanedioate Traditional Name: 2-acetamido-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)malonic acid diethyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCC2=CC=CC=C2C1)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[NH+]1CCC2=CC=CC=C2C1)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C19H26N2O5/c1-4-25-17(23)19(20-14(3)22,18(24)26-5-2)13-21-11-10-15-8-6-7-9-16(15)12-21/h6-9H,4-5,10-13H2,1-3H3,(H,20,22)/p+1