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

Systemtic Name: 4-(2-isoquinolin-2-ium-2-ylethanoyl)-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-(2-isoquinolin-2-ium-2-ylacetyl)-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-(2-isoquinolin-2-ium-2-ylacetyl)-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-(2-isoquinolin-2-ium-2-ylacetyl)-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H20N3O2+ MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[N+]3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[N+]3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H19N3O2/c1-21(2)20(26)22-17-9-5-6-10-18(17)24(21)19(25)14-23-12-11-15-7-3-4-8-16(15)13-23/h3-13H,14H2,1-2H3/p+1