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

Systemtic Name: N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Openeye Name: N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridylmethyl)pyridin-1-ium-2-amine CAS Name: N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Traditional Name: methyl-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-(3-pyridylmethyl)amine Formula: C21H20N5O2+ MolecularWeight: 374.4158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2/c1-26(14-16-6-5-11-22-12-16)20-10-9-17(13-23-20)21-24-19(25-28-21)15-27-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3/p+1