tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(phenethylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(phenethylamino)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(phenethylamino)piperidin-1-ium-1-carboxylate CAS Name: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(phenethylamino)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(phenethylamino)piperidin-1-ium-1-carboxylate Traditional Name: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(phenethylamino)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2CC[N+](CC2)(C(=O)OC(C)(C)C)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NO1)C2CC[N+](CC2)(C(=O)OC(C)(C)C)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H31N4O3/c1-16-23-19(24-28-16)18-11-14-25(15-12-18,20(26)27-21(2,3)4)22-13-10-17-8-6-5-7-9-17/h5-9,18,22H,10-15H2,1-4H3/q+1