(2S)-N-aminocarbonyl-2-[4-(furan-3-ylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[4-(furan-3-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-carbamoyl-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-carbamoyl-2-[4-[3-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-carbamoyl-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-carbamoyl-2-[4-(3-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)[NH+]1CCN(CC1)C(=O)C2=COC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)[NH+]1CCN(CC1)C(=O)C2=COC=C2

InChI

InChI=1S/C13H18N4O4/c1-9(11(18)15-13(14)20)16-3-5-17(6-4-16)12(19)10-2-7-21-8-10/h2,7-9H,3-6H2,1H3,(H3,14,15,18,20)/p+1/t9-/m0/s1