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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]benzofuran-2-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]coumarilamide Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O2S/c23-18(17-11-14-7-3-4-8-16(14)24-17)21-19-20-15(13-25-19)12-22-9-5-1-2-6-10-22/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2,(H,20,21,23)/p+1