5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole Openeye Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole CAS Name: 5-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole IUPAC Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole Traditional Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole Formula: C20H24N5O2+ MolecularWeight: 366.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2/c1-2-24-10-12-25(13-11-24)19-9-8-16(14-21-19)20-22-18(23-27-20)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3/p+1