N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-bromanyl-thiophene-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-bromanyl-thiophene-3-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-bromo-thiophene-3-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-5-bromo-3-thiophenecarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-bromothiophene-3-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-bromo-thiophene-3-carboxamide Formula: C15H19BrN3OS2+ MolecularWeight: 401.36486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CSC(=C3)Br

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CSC(=C3)Br

InChI

InChI=1S/C15H18BrN3OS2/c16-13-7-11(9-21-13)14(20)18-15-17-12(10-22-15)8-19-5-3-1-2-4-6-19/h7,9-10H,1-6,8H2,(H,17,18,20)/p+1