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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CO)C(=O)C1CCCN1[N+]2=NC=C(O2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CO)C(=O)C1CCCN1[N+]2=NC=C(O2)CCC3=CC=CC=C3

InChI

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