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

Systemtic Name: 2-[(2S)-4-[3-(dimethylazaniumyl)propyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[3-(dimethylammonio)propyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[3-(dimethylammonio)propyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[3-(dimethylazaniumyl)propyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-[3-(dimethylammonio)propyl]-3-keto-6-methyl-1,4-benzoxazin-2-yl]acetate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CCC[NH+](C)C)CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C(=O)N2CCC[NH+](C)C)CC(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-11-5-6-13-12(9-11)18(8-4-7-17(2)3)16(21)14(22-13)10-15(19)20/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,19,20)/t14-/m0/s1