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

Systemtic Name: (2S)-2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(4-cyano-2-cyclopropyl-oxazol-5-yl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(4-cyano-2-cyclopropyl-5-oxazolyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(4-cyano-2-cyclopropyl-oxazol-5-yl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C16H23N6O3+ MolecularWeight: 347.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+]1CCN(CC1)C2=C(N=C(O2)C3CC3)C#N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)[NH+]1CCN(CC1)C2=C(N=C(O2)C3CC3)C#N

InChI

InChI=1S/C16H22N6O3/c1-10(13(23)20-16(24)18-2)21-5-7-22(8-6-21)15-12(9-17)19-14(25-15)11-3-4-11/h10-11H,3-8H2,1-2H3,(H2,18,20,23,24)/p+1/t10-/m0/s1