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

Systemtic Name: 4-[(2R)-2-(azocan-1-ium-1-yl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[(2R)-2-(azocan-1-ium-1-yl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[(2R)-2-(1-azocan-1-iumyl)-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[(2R)-2-(azocan-1-ium-1-yl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[(2R)-2-(azocan-1-ium-1-yl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CCCCCCC3

Isomeric SMILES

C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CCCCCCC3

InChI

InChI=1S/C20H29N3O2/c1-15(22-13-9-5-4-6-10-14-22)18(24)23-17-12-8-7-11-16(17)21-19(25)20(23,2)3/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,21,25)/p+1/t15-/m1/s1