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

Systemtic Name: 4-[2-(azocan-1-ium-1-yl)ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-(azocan-1-ium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-(1-azocan-1-iumyl)-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-(azocan-1-ium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-(azocan-1-ium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCCCC3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCCCC3)C

InChI

InChI=1S/C19H27N3O2/c1-19(2)18(24)20-15-10-6-7-11-16(15)22(19)17(23)14-21-12-8-4-3-5-9-13-21/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,20,24)/p+1