5-bromanyl-2-oxidanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 5-bromanyl-2-oxidanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 5-bromo-2-hydroxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 5-bromo-2-hydroxy-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C15H17BrN3O2S+ MolecularWeight: 383.28338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C15H16BrN3O2S/c16-10-3-4-13(20)12(7-10)14(21)18-15-17-11(9-22-15)8-19-5-1-2-6-19/h3-4,7,9,20H,1-2,5-6,8H2,(H,17,18,21)/p+1