2-[(2S)-4-[2-(dimethylazaniumyl)ethyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-4-[2-(dimethylazaniumyl)ethyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[2-(dimethylammonio)ethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[2-(dimethylammonio)ethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[2-(dimethylazaniumyl)ethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-[2-(dimethylammonio)ethyl]-3-keto-6-methyl-1,4-benzoxazin-2-yl]acetate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CC[NH+](C)C)CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C(=O)N2CC[NH+](C)C)CC(=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-10-4-5-12-11(8-10)17(7-6-16(2)3)15(20)13(21-12)9-14(18)19/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,19)/t13-/m0/s1