3-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C17H23N3O2S/c1-11(2)20-7-5-13(6-8-20)18-17(22)12-3-4-15-14(9-12)19-16(21)10-23-15/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,18,22)(H,19,21)/p+1