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

Systemtic Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Openeye Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(4-pyridylmethyl)pyridin-2-amine CAS Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(pyridin-4-ylmethyl)-2-pyridinamine IUPAC Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Traditional Name: [5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-4-ium-5-yl]-2-pyridyl]-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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