N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-keto-6-methyl-1,4-benzoxazin-4-yl)acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCCCCC3

InChI

InChI=1S/C19H27N3O3/c1-15-6-7-17-16(12-15)22(19(24)14-25-17)13-18(23)20-8-11-21-9-4-2-3-5-10-21/h6-7,12H,2-5,8-11,13-14H2,1H3,(H,20,23)/p+1