(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methylisoxazol-5-yl)propanamide CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-methyl-5-isoxazolyl)propanamide IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(3-methylisoxazol-5-yl)propionamide Formula: C16H21N4O4+ MolecularWeight: 333.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=NOC(=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C16H20N4O4/c1-11-10-14(24-18-11)17-15(21)12(2)19-5-7-20(8-6-19)16(22)13-4-3-9-23-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,21)/p+1/t12-/m0/s1