5-(4-methylpentanoyl)-3-(2-methylpropyl)-2-oxidanylidene-N-(1-phenethylpyrrolidin-2-yl)-1,3,4-oxadiazol-3-ium-3-carboxamide

Systemtic Name: 5-(4-methylpentanoyl)-3-(2-methylpropyl)-2-oxidanylidene-N-(1-phenethylpyrrolidin-2-yl)-1,3,4-oxadiazol-3-ium-3-carboxamide Openeye Name: 3-isobutyl-5-(4-methylpentanoyl)-2-oxo-N-(1-phenethylpyrrolidin-2-yl)-1,3,4-oxadiazol-3-ium-3-carboxamide CAS Name: 5-(4-methyl-1-oxopentyl)-3-(2-methylpropyl)-2-oxo-N-(1-phenethyl-2-pyrrolidinyl)-1,3,4-oxadiazol-3-ium-3-carboxamide IUPAC Name: 5-(4-methylpentanoyl)-3-(2-methylpropyl)-2-oxo-N-(1-phenethylpyrrolidin-2-yl)-1,3,4-oxadiazol-3-ium-3-carboxamide Traditional Name: 3-isobutyl-2-keto-5-(4-methylpentanoyl)-N-(1-phenethylpyrrolidin-2-yl)-1,3,4-oxadiazol-3-ium-3-carboxamide Formula: C25H37N4O4+ MolecularWeight: 457.58568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=N[N+](C(=O)O1)(CC(C)C)C(=O)NC2CCCN2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC(=O)C1=N[N+](C(=O)O1)(CC(C)C)C(=O)NC2CCCN2CCC3=CC=CC=C3

InChI

InChI=1S/C25H36N4O4/c1-18(2)12-13-21(30)23-27-29(17-19(3)4,25(32)33-23)24(31)26-22-11-8-15-28(22)16-14-20-9-6-5-7-10-20/h5-7,9-10,18-19,22H,8,11-17H2,1-4H3/p+1