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

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumamine IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Traditional Name: (1-methylpiperidin-1-ium-4-yl)-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]amine Formula: C20H25N5O2+2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2/c1-25-11-9-16(10-12-25)22-18-8-7-15(13-21-18)20-23-19(24-27-20)14-26-17-5-3-2-4-6-17/h2-8,13,16H,9-12,14H2,1H3,(H,21,22)/p+2