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

Systemtic Name: 4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Openeye Name: 4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one CAS Name: 4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-4-oxazolyl]methyl]-1-(3-methoxyphenyl)-2-piperazin-4-iumone IUPAC Name: 4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Traditional Name: 4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC)OC

InChI

InChI=1S/C24H27N3O4/c1-16-12-18(8-9-22(16)30-4)24-25-21(17(2)31-24)14-26-10-11-27(23(28)15-26)19-6-5-7-20(13-19)29-3/h5-9,12-13H,10-11,14-15H2,1-4H3/p+1