2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-N'-oxidanyl-ethanimidamide

Systemtic Name: 2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-N'-oxidanyl-ethanimidamide Openeye Name: N'-hydroxy-2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]acetamidine CAS Name: N'-hydroxy-2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethanimidamide IUPAC Name: N'-hydroxy-2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethanimidamide Traditional Name: N'-hydroxy-2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]acetamidine Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CC(=NO)N

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C/C(=N\O)/N

InChI

InChI=1S/C13H20N4O/c1-16-7-8-17(10-13(14)15-18)12(9-16)11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3,(H2,14,15)/p+1/t12-/m1/s1