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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-m-anisyl-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

InChI

InChI=1S/C21H23N3O3S/c1-27-16-6-4-5-14(11-16)13-22-19(25)15-7-8-18-17(12-15)23-20(26)21(28-18)24-9-2-3-10-24/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,22,25)(H,23,26)/p+1