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

Systemtic Name: (2S)-2-[4-(furan-3-ylcarbonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[4-[3-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(3-furoyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-10(12(19)16-14(21)15-2)17-4-6-18(7-5-17)13(20)11-3-8-22-9-11/h3,8-10H,4-7H2,1-2H3,(H2,15,16,19,21)/p+1/t10-/m0/s1