5-bromanyl-N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]pentanamide

Systemtic Name: 5-bromanyl-N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]pentanamide Openeye Name: 5-bromo-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]pentanamide CAS Name: 5-bromo-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]pentanamide IUPAC Name: 5-bromo-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]pentanamide Traditional Name: 5-bromo-N-[2-(3-keto-6-methoxy-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]valeramide Formula: C15H20BrN2O4+ MolecularWeight: 372.2343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(O2)CCNC(=O)CCCCBr

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(O2)CCNC(=O)CCCCBr

InChI

InChI=1S/C15H19BrN2O4/c1-21-11-5-6-12-13(10-11)22-15(18(12)20)7-9-17-14(19)4-2-3-8-16/h5-6,10,15H,2-4,7-9H2,1H3/p+1