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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

InChI

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