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

Systemtic Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[2-(phenoxymethyl)-1,3-oxazol-4-yl]methanone Openeye Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[2-(phenoxymethyl)oxazol-4-yl]methanone CAS Name: [(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-[2-(phenoxymethyl)-4-oxazolyl]methanone IUPAC Name: [(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-[2-(phenoxymethyl)-1,3-oxazol-4-yl]methanone Traditional Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[2-(phenoxymethyl)oxazol-4-yl]methanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=COC(=N3)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=O)C3=COC(=N3)COC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-24-12-13-25(20(14-24)17-8-4-2-5-9-17)22(26)19-15-28-21(23-19)16-27-18-10-6-3-7-11-18/h2-11,15,20H,12-14,16H2,1H3/p+1/t20-/m1/s1