5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyridin-1-ium-2-amine

Systemtic Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyridin-1-ium-2-amine Openeye Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]pyridin-1-ium-2-amine CAS Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-4-(1-pyrazolyl)butan-2-yl]-2-pyridin-1-iumamine IUPAC Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyridin-1-ium-2-amine Traditional Name: [5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]amine Formula: C17H21N6O+ MolecularWeight: 325.38824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)NC2=[NH+]C=C(C=C2)C3=NC(=NO3)C4CC4

Isomeric SMILES

C[C@H](CCN1C=CC=N1)NC2=[NH+]C=C(C=C2)C3=NC(=NO3)C4CC4

InChI

InChI=1S/C17H20N6O/c1-12(7-10-23-9-2-8-19-23)20-15-6-5-14(11-18-15)17-21-16(22-24-17)13-3-4-13/h2,5-6,8-9,11-13H,3-4,7,10H2,1H3,(H,18,20)/p+1/t12-/m1/s1