2-[[(2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[(2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H24N4O4S/c1-12(23-7-9-24(10-8-23)20(27)14-5-3-11-28-14)18(26)22-19-16(17(21)25)13-4-2-6-15(13)29-19/h3,5,11-12H,2,4,6-10H2,1H3,(H2,21,25)(H,22,26)/p+1/t12-/m1/s1