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

Systemtic Name: 3-cyclopropyl-5-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-cyclopropyl-5-[[4-(o-tolyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-cyclopropyl-5-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-cyclopropyl-5-[[4-(2-methylphenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-cyclopropyl-5-[[4-(o-tolyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCC[NH+](CC2)CC3=NC(=NO3)C4CC4

Isomeric SMILES

CC1=CC=CC=C1N2CCC[NH+](CC2)CC3=NC(=NO3)C4CC4

InChI

InChI=1S/C18H24N4O/c1-14-5-2-3-6-16(14)22-10-4-9-21(11-12-22)13-17-19-18(20-23-17)15-7-8-15/h2-3,5-6,15H,4,7-13H2,1H3/p+1