4-[(2R)-4-[2-(dimethylazaniumyl)ethyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2R)-4-[2-(dimethylazaniumyl)ethyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-4-[2-(dimethylammonio)ethyl]-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-4-[2-(dimethylammonio)ethyl]-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-4-[2-(dimethylazaniumyl)ethyl]-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-4-[2-(dimethylammonio)ethyl]-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC[NH+](C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC[NH+](C)C

InChI

InChI=1S/C18H24N2O5/c1-4-15-18(24)20(10-9-19(2)3)13-11-12(5-7-16(13)25-15)14(21)6-8-17(22)23/h5,7,11,15H,4,6,8-10H2,1-3H3,(H,22,23)/t15-/m1/s1