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

Systemtic Name: ethyl 4-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(2-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-methyl-2-o-phenetyl-oxazol-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H27N3O4/c1-4-25-18-9-7-6-8-16(18)19-21-17(15(3)27-19)14-22-10-12-23(13-11-22)20(24)26-5-2/h6-9H,4-5,10-14H2,1-3H3/p+1