2-[(3aS)-2-oxidanylidene-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(3aS)-2-oxidanylidene-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(3aS)-2-oxo-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(3aS)-2-oxo-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(3aS)-2-oxo-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethylazanium Traditional Name: 2-[(3aS)-2-keto-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-ammonium Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)CC2C1=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C[C@H]2C1=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H21N3OS/c1-3-18(4-2)9-10-19-15(20)11-14-16(19)17-12-7-5-6-8-13(12)21-14/h5-8,14H,3-4,9-11H2,1-2H3/p+1/t14-/m0/s1