methyl-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[(1R)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1R)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl]-methyl-(2-thenyl)ammonium Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+](C)CC3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C17H19N3O2S/c1-12(19(2)10-13-6-5-9-23-13)17(22)20-11-16(21)18-14-7-3-4-8-15(14)20/h3-9,12H,10-11H2,1-2H3,(H,18,21)/p+1/t12-/m1/s1