diethyl 2-acetamido-2-[4-(3-aminocarbonylpyridin-1-ium-1-yl)butyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[4-(3-aminocarbonylpyridin-1-ium-1-yl)butyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]propanedioate CAS Name: 2-acetamido-2-[4-(3-carbamoyl-1-pyridin-1-iumyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]propanedioate Traditional Name: 2-acetamido-2-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]malonic acid diethyl ester Formula: C19H28N3O6+ MolecularWeight: 394.44212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6/c1-4-27-17(25)19(21-14(3)23,18(26)28-5-2)10-6-7-11-22-12-8-9-15(13-22)16(20)24/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2-,20,21,23,24)/p+1