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

Systemtic Name: (3S)-4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethyl-piperazin-4-ium-2-one Openeye Name: (3S)-4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1,3-dimethyl-piperazin-4-ium-2-one CAS Name: (3S)-4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-4-oxazolyl]methyl]-1,3-dimethyl-2-piperazin-4-iumone IUPAC Name: (3S)-4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-4-ium-2-one Traditional Name: (3S)-4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1,3-dimethyl-piperazin-4-ium-2-one Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-12-10-15(6-7-17(12)24-5)18-20-16(14(3)25-18)11-22-9-8-21(4)19(23)13(22)2/h6-7,10,13H,8-9,11H2,1-5H3/p+1/t13-/m0/s1