3,3-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethanoyl)-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethanoyl)-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-(2-pyrrolidin-1-ium-1-ylacetyl)-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-(2-pyrrolidin-1-ium-1-ylacetyl)-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-(2-pyrrolidin-1-ium-1-ylacetyl)-1H-quinoxalin-2-one Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCC3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCC3)C

InChI

InChI=1S/C16H21N3O2/c1-16(2)15(21)17-12-7-3-4-8-13(12)19(16)14(20)11-18-9-5-6-10-18/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,17,21)/p+1