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

Systemtic Name: 4-[[2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Openeye Name: 4-[[2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one CAS Name: 4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-oxazolyl]methyl]-1-(3-methoxyphenyl)-2-piperazin-4-iumone IUPAC Name: 4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Traditional Name: 4-[[2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H29N3O4/c1-16-17(2)23(31-5)10-9-21(16)25-26-22(18(3)32-25)14-27-11-12-28(24(29)15-27)19-7-6-8-20(13-19)30-4/h6-10,13H,11-12,14-15H2,1-5H3/p+1