2-[(3aS)-7-methoxy-2-oxidanylidene-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(3aS)-7-methoxy-2-oxidanylidene-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(3aS)-7-methoxy-2-oxo-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(3aS)-7-methoxy-2-oxo-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(3aS)-7-methoxy-2-oxo-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethylazanium Traditional Name: 2-[(3aS)-2-keto-7-methoxy-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-1-yl]ethyl-diethyl-ammonium Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)CC2C1=NC3=C(S2)C=CC(=C3)OC

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C[C@H]2C1=NC3=C(S2)C=CC(=C3)OC

InChI

InChI=1S/C17H23N3O2S/c1-4-19(5-2)8-9-20-16(21)11-15-17(20)18-13-10-12(22-3)6-7-14(13)23-15/h6-7,10,15H,4-5,8-9,11H2,1-3H3/p+1/t15-/m0/s1