4-[(2R)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2R)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCCCC[C@@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N3O3/c1-17(24(29)27-16-23(28)25-20-8-5-6-10-22(20)27)26-15-7-3-4-9-21(26)18-11-13-19(30-2)14-12-18/h5-6,8,10-14,17,21H,3-4,7,9,15-16H2,1-2H3,(H,25,28)/p+1/t17-,21-/m1/s1