2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[6-tert-butyl-2-(4-chlorobenzylidene)-3-keto-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C27H33ClN3O3+ MolecularWeight: 483.02222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)Cl)C(=O)N2CC(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)Cl)C(=O)N2CC(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C27H32ClN3O3/c1-27(2,3)20-8-11-23-22(17-20)31(18-25(32)29-12-15-30-13-4-5-14-30)26(33)24(34-23)16-19-6-9-21(28)10-7-19/h6-11,16-17H,4-5,12-15,18H2,1-3H3,(H,29,32)/p+1