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

Systemtic Name: 2-[(2S)-6-chloranyl-4-[3-(dimethylazaniumyl)propyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-4-[3-(dimethylammonio)propyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-4-[3-(dimethylammonio)propyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-4-[3-(dimethylazaniumyl)propyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-4-[3-(dimethylammonio)propyl]-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C15H19ClN2O4 MolecularWeight: 326.77536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C15H19ClN2O4/c1-17(2)6-3-7-18-11-8-10(16)4-5-12(11)22-13(15(18)21)9-14(19)20/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,19,20)/t13-/m0/s1