N-[(2-methoxyphenyl)methyl]-3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-o-anisyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O3S/c1-28-18-8-4-3-7-16(18)14-23-20(26)15-9-10-19-17(13-15)24-21(27)22(29-19)25-11-5-2-6-12-25/h3-4,7-10,13,22H,2,5-6,11-12,14H2,1H3,(H,23,26)(H,24,27)/p+1