N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C18H25N3O2S/c1-13-5-2-3-9-21(13)10-4-8-19-18(23)14-6-7-16-15(11-14)20-17(22)12-24-16/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,19,23)(H,20,22)/p+1