(3S)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-pyridin-1-ium-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-1-ium-2-yl-nipecotamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NO1)CNC(=O)C2CCCN(C2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)CC1=NC(=NO1)CNC(=O)[C@H]2CCCN(C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H25N5O2/c1-13(2)10-17-21-15(22-25-17)11-20-18(24)14-6-5-9-23(12-14)16-7-3-4-8-19-16/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,20,24)/p+1/t14-/m0/s1