N-butyl-3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-butyl-3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-butyl-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-butyl-3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-butyl-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-butyl-3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3

InChI

InChI=1S/C18H25N3O2S/c1-2-3-9-19-16(22)13-7-8-15-14(12-13)20-17(23)18(24-15)21-10-5-4-6-11-21/h7-8,12,18H,2-6,9-11H2,1H3,(H,19,22)(H,20,23)/p+1