3-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[(3-keto-1,4-benzothiazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC(=CC=C2)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC(=CC=C2)CN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2S/c26-21-16-28-20-9-2-1-8-19(20)25(21)15-17-6-5-7-18(14-17)22(27)23-10-13-24-11-3-4-12-24/h1-2,5-9,14H,3-4,10-13,15-16H2,(H,23,27)/p+1