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

Systemtic Name: 3-phenethyl-5-[[(4R)-4-phenylazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenethyl-5-[[(4R)-4-phenylazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenethyl-5-[[(4R)-4-phenyl-1-azepan-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenethyl-5-[[(4R)-4-phenylazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenethyl-5-[[(4R)-4-phenylazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)CC2=NC(=NO2)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](CC[NH+](C1)CC2=NC(=NO2)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-3-8-19(9-4-1)13-14-22-24-23(27-25-22)18-26-16-7-12-21(15-17-26)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2/p+1/t21-/m1/s1