4-[2-(azepan-1-ium-1-yl)ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-(azepan-1-ium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-(1-azepan-1-iumyl)-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-(azepan-1-ium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-(azepan-1-ium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H25N3O2/c1-18(2)17(23)19-14-9-5-6-10-15(14)21(18)16(22)13-20-11-7-3-4-8-12-20/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,19,23)/p+1