N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=CC=CO4

InChI

InChI=1S/C20H23N3O3S/c24-19-13-27-18-7-6-14(11-15(18)22-19)20(25)21-12-16(17-5-4-10-26-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12-13H2,(H,21,25)(H,22,24)/p+1/t16-/m0/s1