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

Systemtic Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine Openeye Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(3-pyridylmethyl)pyridin-2-amine CAS Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(3-pyridinylmethyl)-2-pyridinamine IUPAC Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine Traditional Name: [5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-2-pyridyl]-(3-pyridylmethyl)amine Formula: C21H20N5O3+ MolecularWeight: 390.4152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NOC(=[NH+]2)C3=CN=C(C=C3)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NOC(=[NH+]2)C3=CN=C(C=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-27-17-7-3-6-16(19(17)28-2)20-25-21(29-26-20)15-8-9-18(24-13-15)23-12-14-5-4-10-22-11-14/h3-11,13H,12H2,1-2H3,(H,23,24)/p+1