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

Systemtic Name: ethyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(3-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(3-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H22ClN3O3/c1-3-24-18(23)22-9-7-21(8-10-22)12-16-13(2)25-17(20-16)14-5-4-6-15(19)11-14/h4-6,11H,3,7-10,12H2,1-2H3/p+1