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

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C18H20ClN6O+ MolecularWeight: 371.844

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=NC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=NC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN6O/c19-15-5-3-14(4-6-15)17-22-16(26-23-17)13-24-9-2-10-25(12-11-24)18-20-7-1-8-21-18/h1,3-8H,2,9-13H2/p+1