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

Systemtic Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[(4S)-4-phenyl-1-azepan-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C19H22N3OS+ MolecularWeight: 340.46248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)CC2=NC(=NO2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CC[NH+](C1)CC2=NC(=NO2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3OS/c1-2-6-15(7-3-1)16-8-4-11-22(12-10-16)14-18-20-19(21-23-18)17-9-5-13-24-17/h1-3,5-7,9,13,16H,4,8,10-12,14H2/p+1/t16-/m0/s1