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

Systemtic Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Openeye Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine CAS Name: N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Traditional Name: methyl-[(1-methylpyrazol-4-yl)methyl]-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]amine Formula: C20H21N6O2+ MolecularWeight: 377.41974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN(C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C20H20N6O2/c1-25(12-15-10-22-26(2)13-15)19-9-8-16(11-21-19)20-23-18(24-28-20)14-27-17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3/p+1