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

Systemtic Name: 2-[2-(6-tert-butyl-3-oxidanylidene-1,4-benzothiazin-4-yl)butanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[2-(6-tert-butyl-3-oxo-1,4-benzothiazin-4-yl)butanoylamino]ethyl-diethyl-ammonium CAS Name: 2-[[2-(6-tert-butyl-3-oxo-1,4-benzothiazin-4-yl)-1-oxobutyl]amino]ethyl-diethylammonium IUPAC Name: 2-[2-(6-tert-butyl-3-oxo-1,4-benzothiazin-4-yl)butanoylamino]ethyl-diethylazanium Traditional Name: 2-[2-(6-tert-butyl-3-keto-1,4-benzothiazin-4-yl)butanoylamino]ethyl-diethyl-ammonium Formula: C22H36N3O2S+ MolecularWeight: 406.60514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC[NH+](CC)CC)N1C(=O)CSC2=C1C=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(C(=O)NCC[NH+](CC)CC)N1C(=O)CSC2=C1C=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H35N3O2S/c1-7-17(21(27)23-12-13-24(8-2)9-3)25-18-14-16(22(4,5)6)10-11-19(18)28-15-20(25)26/h10-11,14,17H,7-9,12-13,15H2,1-6H3,(H,23,27)/p+1