2-[4-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]ethyl-dimethylazanium Traditional Name: 2-[4-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)butanoylamino]ethyl-dimethyl-ammonium Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)15-8-9-17-16(13-15)23(19(25)14-26-17)11-6-7-18(24)21-10-12-22(4)5/h8-9,13H,6-7,10-12,14H2,1-5H3,(H,21,24)/p+1