N-methyl-5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine

Systemtic Name: N-methyl-5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Openeye Name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(3-pyridylmethyl)pyridin-1-ium-2-amine CAS Name: N-methyl-5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinylmethyl)-2-pyridin-1-iumamine IUPAC Name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Traditional Name: [5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-methyl-(3-pyridylmethyl)amine Formula: C21H20N5O+ MolecularWeight: 358.4164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O/c1-26(15-17-8-5-11-22-13-17)20-10-9-18(14-23-20)21-24-19(25-27-21)12-16-6-3-2-4-7-16/h2-11,13-14H,12,15H2,1H3/p+1