4-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium

Systemtic Name: 4-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium Openeye Name: 4-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butylammonium CAS Name: 4-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butylammonium IUPAC Name: 4-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butylazanium Traditional Name: 4-(6-chloro-3-keto-1,4-benzoxazin-4-yl)butylammonium Formula: C12H16ClN2O2+ MolecularWeight: 255.72064

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCCC[NH3+]

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCCC[NH3+]

InChI

InChI=1S/C12H15ClN2O2/c13-9-3-4-11-10(7-9)15(6-2-1-5-14)12(16)8-17-11/h3-4,7H,1-2,5-6,8,14H2/p+1