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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]furan-3-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]furan-3-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-furancarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]furan-3-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-furamide Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2S/c19-14(12-5-8-20-10-12)17-15-16-13(11-21-15)9-18-6-3-1-2-4-7-18/h5,8,10-11H,1-4,6-7,9H2,(H,16,17,19)/p+1