4-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-3-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1S)-2-amino-2-keto-1-phenyl-ethyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C17H21N5O3/c1-12-11-14(20-25-12)19-17(24)22-9-7-21(8-10-22)15(16(18)23)13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3,(H2,18,23)(H,19,20,24)/p+1/t15-/m0/s1