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

Systemtic Name: (2S)-N-tert-butyl-2-[4-(furan-3-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-tert-butyl-2-[4-[3-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-tert-butyl-2-[4-(3-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-12(14(20)17-16(2,3)4)18-6-8-19(9-7-18)15(21)13-5-10-22-11-13/h5,10-12H,6-9H2,1-4H3,(H,17,20)/p+1/t12-/m0/s1