2-[3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C(=O)N)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C(=O)N)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H20N4O4S/c18-15(23)12-4-11-26-16(12)19-14(22)3-5-20-6-8-21(9-7-20)17(24)13-2-1-10-25-13/h1-2,4,10-11H,3,5-9H2,(H2,18,23)(H,19,22)/p+1