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

Systemtic Name: ethyl 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O3/c1-2-22-16(21)20-10-8-19(9-11-20)12-14-17-15(18-23-14)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1