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

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-13-12-16(20-25-13)19-17(23)14(2)21-8-10-22(11-9-21)18(24)15-6-4-3-5-7-15/h3-7,12,14H,8-11H2,1-2H3,(H,19,20,23)/p+1/t14-/m0/s1