3-(phenoxymethyl)-5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)CC2=NC(=NO2)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CC[NH+](C1)CC2=NC(=NO2)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-3-8-18(9-4-1)19-10-7-14-25(15-13-19)16-22-23-21(24-27-22)17-26-20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2/p+1/t19-/m0/s1