(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)butanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)butyramide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c1-3-16(18(24)20-17-13-14(2)26-21-17)22-9-11-23(12-10-22)19(25)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3,(H,20,21,24)/p+1/t16-/m0/s1