4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide

Systemtic Name: 4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide Openeye Name: 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide CAS Name: 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(1-piperidin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide Traditional Name: 4-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butyramide Formula: C21H30N3O4+ MolecularWeight: 388.4806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C21H29N3O4/c1-16(25)17-7-8-19-18(14-17)24(21(27)15-28-19)12-5-6-20(26)22-9-13-23-10-3-2-4-11-23/h7-8,14H,2-6,9-13,15H2,1H3,(H,22,26)/p+1