N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)acetamide Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCC[NH+]3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCC[NH+]3CCCCCC3

InChI

InChI=1S/C23H35N3O3/c1-23(2,3)18-9-10-20-19(15-18)26(22(28)17-29-20)16-21(27)24-11-8-14-25-12-6-4-5-7-13-25/h9-10,15H,4-8,11-14,16-17H2,1-3H3,(H,24,27)/p+1