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

Systemtic Name: (2S)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2S)-2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2S)-2-[4-[4-cyano-2-(2-furanyl)-5-oxazolyl]-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2S)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2S)-2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C18H21N5O3/c1-12(16(24)20-13-4-5-13)22-6-8-23(9-7-22)18-14(11-19)21-17(26-18)15-3-2-10-25-15/h2-3,10,12-13H,4-9H2,1H3,(H,20,24)/p+1/t12-/m0/s1