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

Systemtic Name: 5-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)methyl]-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)methyl]-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)methyl]-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)CC3=NC(=NO3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)CC3=NC(=NO3)C4=CC=CC=N4

InChI

InChI=1S/C19H27N5O/c1-2-7-16(8-3-1)24-12-6-11-23(13-14-24)15-18-21-19(22-25-18)17-9-4-5-10-20-17/h4-5,9-10,16H,1-3,6-8,11-15H2/p+1