(3S)-1,3-dimethyl-4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(4-phenylphenyl)-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC[NH+]1CC2=C(OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C)C

Isomeric SMILES

C[C@H]1C(=O)N(CC[NH+]1CC2=C(OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H25N3O2/c1-16-23(27)25(3)13-14-26(16)15-21-17(2)28-22(24-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3/p+1/t16-/m0/s1