dimethyl-[3-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propyl]azanium

Systemtic Name: dimethyl-[3-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propyl]azanium Openeye Name: dimethyl-[3-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propyl]ammonium CAS Name: dimethyl-[3-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propyl]ammonium IUPAC Name: dimethyl-[3-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propyl]azanium Traditional Name: 3-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)propyl-dimethyl-ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C16H22N2O3/c1-4-14(19)12-6-7-15-13(10-12)18(16(20)11-21-15)9-5-8-17(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3/p+1