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

Systemtic Name: N-methyl-N-(oxan-4-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Openeye Name: N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydropyran-4-ylmethyl)pyridin-1-ium-2-amine CAS Name: N-methyl-N-(4-oxanylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-(oxan-4-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Traditional Name: methyl-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-(tetrahydropyran-4-ylmethyl)amine Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCOCC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CN(CC1CCOCC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c1-25(14-16-9-11-26-12-10-16)20-8-7-17(13-22-20)21-23-19(24-28-21)15-27-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3/p+1