5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-26-19-13-11-17(12-14-19)20-10-6-3-7-15-25(20)16-21-23-22(24-27-21)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,20H,3,6-7,10,15-16H2,1H3/p+1/t20-/m1/s1