N-(hydroxymethyl)-N-(2-methylpropyl)-5-(3-phenethyl-1,2,4-oxadiazol-2-ium-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-(hydroxymethyl)-N-(2-methylpropyl)-5-(3-phenethyl-1,2,4-oxadiazol-2-ium-2-yl)pyrrolidine-2-carboxamide Openeye Name: N-(hydroxymethyl)-N-isobutyl-5-(3-phenethyl-1,2,4-oxadiazol-2-ium-2-yl)pyrrolidine-2-carboxamide CAS Name: N-(hydroxymethyl)-N-(2-methylpropyl)-5-(3-phenethyl-1,2,4-oxadiazol-2-ium-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: N-(hydroxymethyl)-N-(2-methylpropyl)-5-(3-phenethyl-1,2,4-oxadiazol-2-ium-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-isobutyl-N-methylol-5-(3-phenethyl-1,2,4-oxadiazol-2-ium-2-yl)pyrrolidine-2-carboxamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CO)C(=O)C1CCC(N1)[N+]2=C(N=CO2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CO)C(=O)C1CCC(N1)[N+]2=C(N=CO2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H29N4O3/c1-15(2)12-23(14-25)20(26)17-9-11-19(22-17)24-18(21-13-27-24)10-8-16-6-4-3-5-7-16/h3-7,13,15,17,19,22,25H,8-12,14H2,1-2H3/q+1