2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)16-7-8-18-17(13-16)24(20(26)15-27-18)14-19(25)22-9-12-23-10-5-4-6-11-23/h7-8,13H,4-6,9-12,14-15H2,1-3H3,(H,22,25)/p+1