butyl-ethyl-[3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propyl]azanium

Systemtic Name: butyl-ethyl-[3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propyl]azanium Openeye Name: butyl-ethyl-[3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl]ammonium CAS Name: butyl-ethyl-[3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]propyl]ammonium IUPAC Name: butyl-ethyl-[3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl]azanium Traditional Name: butyl-ethyl-[3-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propyl]ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2

Isomeric SMILES

CCCC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2

InChI

InChI=1S/C18H27N3O2S/c1-3-5-10-21(4-2)11-6-9-19-18(23)14-7-8-16-15(12-14)20-17(22)13-24-16/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,19,23)(H,20,22)/p+1