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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)[NH+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-28-19-7-3-2-6-16(19)18(25-10-4-5-11-25)13-23-22(27)15-8-9-20-17(12-15)24-21(26)14-29-20/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m0/s1