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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-3-keto-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-16-6-3-14(4-7-16)9-10-23-19(26)15-5-8-18-17(13-15)24-20(27)21(28-18)25-11-1-2-12-25/h3-8,13,21H,1-2,9-12H2,(H,23,26)(H,24,27)/p+1