N-[2-(4-methyl-7-oxidanylidene-1,2-benzoxazin-2-ium-2-yl)ethyl]pentanamide

Systemtic Name: N-[2-(4-methyl-7-oxidanylidene-1,2-benzoxazin-2-ium-2-yl)ethyl]pentanamide Openeye Name: N-[2-(4-methyl-7-oxo-1,2-benzoxazin-2-ium-2-yl)ethyl]pentanamide CAS Name: N-[2-(4-methyl-7-oxo-1,2-benzoxazin-2-ium-2-yl)ethyl]pentanamide IUPAC Name: N-[2-(4-methyl-7-oxo-1,2-benzoxazin-2-ium-2-yl)ethyl]pentanamide Traditional Name: N-[2-(7-keto-4-methyl-1,2-benzoxazin-2-ium-2-yl)ethyl]valeramide Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC[N+]1=CC(=C2C=CC(=O)C=C2O1)C

Isomeric SMILES

CCCCC(=O)NCC[N+]1=CC(=C2C=CC(=O)C=C2O1)C

InChI

InChI=1S/C16H20N2O3/c1-3-4-5-16(20)17-8-9-18-11-12(2)14-7-6-13(19)10-15(14)21-18/h6-7,10-11H,3-5,8-9H2,1-2H3/p+1