4-[3-(dimethylazaniumyl)propyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylate

Systemtic Name: 4-[3-(dimethylazaniumyl)propyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylate Openeye Name: 4-[3-(dimethylammonio)propyl]-3-oxo-1,4-benzoxazine-7-carboxylate CAS Name: 4-[3-(dimethylammonio)propyl]-3-oxo-1,4-benzoxazine-7-carboxylate IUPAC Name: 4-[3-(dimethylazaniumyl)propyl]-3-oxo-1,4-benzoxazine-7-carboxylate Traditional Name: 4-[3-(dimethylammonio)propyl]-3-keto-1,4-benzoxazine-7-carboxylate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)COC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)COC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-15(2)6-3-7-16-11-5-4-10(14(18)19)8-12(11)20-9-13(16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)