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

Systemtic Name: 2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylene]-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methylidene]-3-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methylidene]-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-(3-chlorobenzylidene)-3-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

InChI

InChI=1S/C22H22ClN3O2S/c23-17-5-3-4-15(12-17)13-20-22(28)25-18-14-16(6-7-19(18)29-20)21(27)24-8-11-26-9-1-2-10-26/h3-7,12-14H,1-2,8-11H2,(H,24,27)(H,25,28)/p+1