ethyl 4-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H23ClN3O5+ MolecularWeight: 408.85602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC4=C(C=C3Cl)OCO4)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC4=C(C=C3Cl)OCO4)C

InChI

InChI=1S/C19H22ClN3O5/c1-3-25-19(24)23-6-4-22(5-7-23)10-15-12(2)28-18(21-15)13-8-16-17(9-14(13)20)27-11-26-16/h8-9H,3-7,10-11H2,1-2H3/p+1