5-[6-(azepan-1-yl)pyridin-1-ium-3-yl]-3-(methoxymethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[6-(azepan-1-yl)pyridin-1-ium-3-yl]-3-(methoxymethyl)-1,2,4-oxadiazole Openeye Name: 5-[6-(azepan-1-yl)pyridin-1-ium-3-yl]-3-(methoxymethyl)-1,2,4-oxadiazole CAS Name: 5-[6-(1-azepanyl)-3-pyridin-1-iumyl]-3-(methoxymethyl)-1,2,4-oxadiazole IUPAC Name: 5-[6-(azepan-1-yl)pyridin-1-ium-3-yl]-3-(methoxymethyl)-1,2,4-oxadiazole Traditional Name: 5-[6-(azepan-1-yl)pyridin-1-ium-3-yl]-3-(methoxymethyl)-1,2,4-oxadiazole Formula: C15H21N4O2+ MolecularWeight: 289.35284

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCCCCC3

Isomeric SMILES

COCC1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C15H20N4O2/c1-20-11-13-17-15(21-18-13)12-6-7-14(16-10-12)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3/p+1