5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-pyrazin-2-ylethyl)pyridin-1-ium-2-amine

Systemtic Name: 5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-pyrazin-2-ylethyl)pyridin-1-ium-2-amine Openeye Name: 5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-pyrazin-2-ylethyl)pyridin-1-ium-2-amine CAS Name: 5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2-pyrazinyl)ethyl]-2-pyridin-1-iumamine IUPAC Name: 5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-pyrazin-2-ylethyl)pyridin-1-ium-2-amine Traditional Name: [5-(3-p-anisyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-(2-pyrazin-2-ylethyl)amine Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NOC(=N2)C3=C[NH+]=C(C=C3)NCCC4=NC=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NOC(=N2)C3=C[NH+]=C(C=C3)NCCC4=NC=CN=C4

InChI

InChI=1S/C21H20N6O2/c1-28-18-5-2-15(3-6-18)12-20-26-21(29-27-20)16-4-7-19(25-13-16)24-9-8-17-14-22-10-11-23-17/h2-7,10-11,13-14H,8-9,12H2,1H3,(H,24,25)/p+1