N-[4-methyl-1-[4-(2-methylpropyl)-5-oxidanylidene-1,3,4-oxadiazol-2-yl]-1-oxidanylidene-pentan-2-yl]-1-phenethyl-piperidin-1-ium-1-carboxamide

Systemtic Name: N-[4-methyl-1-[4-(2-methylpropyl)-5-oxidanylidene-1,3,4-oxadiazol-2-yl]-1-oxidanylidene-pentan-2-yl]-1-phenethyl-piperidin-1-ium-1-carboxamide Openeye Name: N-[1-(4-isobutyl-5-oxo-1,3,4-oxadiazole-2-carbonyl)-3-methyl-butyl]-1-phenethyl-piperidin-1-ium-1-carboxamide CAS Name: N-[4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-1-phenethyl-1-piperidin-1-iumcarboxamide IUPAC Name: N-[4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-1-phenethylpiperidin-1-ium-1-carboxamide Traditional Name: N-[1-(4-isobutyl-5-keto-1,3,4-oxadiazole-2-carbonyl)-3-methyl-butyl]-1-phenethyl-piperidin-1-ium-1-carboxamide Formula: C26H39N4O4+ MolecularWeight: 471.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=NN(C(=O)O1)CC(C)C)NC(=O)[N+]2(CCCCC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)C1=NN(C(=O)O1)CC(C)C)NC(=O)[N+]2(CCCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C26H38N4O4/c1-19(2)17-22(23(31)24-28-29(18-20(3)4)26(33)34-24)27-25(32)30(14-9-6-10-15-30)16-13-21-11-7-5-8-12-21/h5,7-8,11-12,19-20,22H,6,9-10,13-18H2,1-4H3/p+1