diethyl 2-acetamido-2-[3-(3-aminocarbonylpyridin-1-ium-1-yl)propyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[3-(3-aminocarbonylpyridin-1-ium-1-yl)propyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[3-(3-carbamoylpyridin-1-ium-1-yl)propyl]propanedioate CAS Name: 2-acetamido-2-[3-(3-carbamoyl-1-pyridin-1-iumyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[3-(3-carbamoylpyridin-1-ium-1-yl)propyl]propanedioate Traditional Name: 2-acetamido-2-[3-(3-carbamoylpyridin-1-ium-1-yl)propyl]malonic acid diethyl ester Formula: C18H26N3O6+ MolecularWeight: 380.41554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC[N+]1=CC=CC(=C1)C(=O)N)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC[N+]1=CC=CC(=C1)C(=O)N)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H25N3O6/c1-4-26-16(24)18(20-13(3)22,17(25)27-5-2)9-7-11-21-10-6-8-14(12-21)15(19)23/h6,8,10,12H,4-5,7,9,11H2,1-3H3,(H2-,19,20,22,23)/p+1