3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6O2/c1-26-16-6-4-15(5-7-16)18-22-17(27-23-18)14-24-10-3-11-25(13-12-24)19-20-8-2-9-21-19/h2,4-9H,3,10-14H2,1H3/p+1