5-[2-(2-benzamidocyclohexyl)ethanoyl]-3-(2-methylpropyl)-2-oxidanylidene-1,3,4-oxadiazol-3-ium-3-carboxamide

Systemtic Name: 5-[2-(2-benzamidocyclohexyl)ethanoyl]-3-(2-methylpropyl)-2-oxidanylidene-1,3,4-oxadiazol-3-ium-3-carboxamide Openeye Name: 5-[2-(2-benzamidocyclohexyl)acetyl]-3-isobutyl-2-oxo-1,3,4-oxadiazol-3-ium-3-carboxamide CAS Name: 5-[2-(2-benzamidocyclohexyl)-1-oxoethyl]-3-(2-methylpropyl)-2-oxo-1,3,4-oxadiazol-3-ium-3-carboxamide IUPAC Name: 5-[2-(2-benzamidocyclohexyl)acetyl]-3-(2-methylpropyl)-2-oxo-1,3,4-oxadiazol-3-ium-3-carboxamide Traditional Name: 5-[2-(2-benzamidocyclohexyl)acetyl]-3-isobutyl-2-keto-1,3,4-oxadiazol-3-ium-3-carboxamide Formula: C22H29N4O5+ MolecularWeight: 429.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1(C(=O)OC(=N1)C(=O)CC2CCCCC2NC(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)C[N+]1(C(=O)OC(=N1)C(=O)CC2CCCCC2NC(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H28N4O5/c1-14(2)13-26(21(23)29)22(30)31-20(25-26)18(27)12-16-10-6-7-11-17(16)24-19(28)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3,(H2-,23,24,28,29)/p+1