(2S)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=NOC(=C1)CN2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C17H22N4O2/c1-13-11-15(23-19-13)12-20-7-9-21(10-8-20)16(17(18)22)14-5-3-2-4-6-14/h2-6,11,16H,7-10,12H2,1H3,(H2,18,22)/p+1/t16-/m0/s1