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

Systemtic Name: tert-butyl 1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propanoyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propanoyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-oxopropyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propanoyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propanoyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)CCC(=O)[N+]3(CCNCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)CCC(=O)[N+]3(CCNCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N4O4/c1-15-23-19(24-29-15)17-8-5-16(6-9-17)7-10-18(26)25(13-11-22-12-14-25)20(27)28-21(2,3)4/h5-6,8-9,22H,7,10-14H2,1-4H3/q+1