5-[(1S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole

Systemtic Name: 5-[(1S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole Openeye Name: 5-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]-3-(4-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[(1S)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole IUPAC Name: 5-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole Traditional Name: 5-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]-3-(4-pyridyl)-1,2,4-oxadiazole Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CC=NC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C2=CC=NC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-16(21-23-20(24-26-21)19-7-11-22-12-8-19)25-13-9-18(10-14-25)15-17-5-3-2-4-6-17/h2-8,11-12,16,18H,9-10,13-15H2,1H3/p+1/t16-/m0/s1