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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-phenyl-furan-2-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-phenyl-furan-2-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-phenyl-2-furancarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-phenyl-2-furamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=C(C=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=C(C=CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-20(19-18(10-13-26-19)16-8-4-3-5-9-16)23-21-22-17(15-27-21)14-24-11-6-1-2-7-12-24/h3-5,8-10,13,15H,1-2,6-7,11-12,14H2,(H,22,23,25)/p+1