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

Systemtic Name: 2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3/c1-22(2,3)17-8-9-19-18(14-17)25(21(27)16-28-19)15-20(26)23-10-7-13-24-11-5-4-6-12-24/h8-9,14H,4-7,10-13,15-16H2,1-3H3,(H,23,26)/p+1