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

Systemtic Name: N-[2-[[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: N-[2-[[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]amino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[2-[[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]amino]-2-oxoethyl]-2-furancarboxamide IUPAC Name: N-[2-[[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide Traditional Name: N-[2-[[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]amino]-2-keto-ethyl]-2-furamide Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c22-15(10-18-16(23)14-6-5-9-24-14)20-17-19-13(12-25-17)11-21-7-3-1-2-4-8-21/h5-6,9,12H,1-4,7-8,10-11H2,(H,18,23)(H,19,20,22)/p+1