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

Systemtic Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole CAS Name: 5-[[(4S)-4-phenyl-1-azepan-1-iumyl]methyl]-3-(2-pyrazinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O/c1-2-5-15(6-3-1)16-7-4-11-24(12-8-16)14-18-22-19(23-25-18)17-13-20-9-10-21-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14H2/p+1/t16-/m0/s1