3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C20H21ClN5O2+ MolecularWeight: 398.86604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O2/c21-16-6-4-15(5-7-16)20-23-18(28-24-20)8-9-19(27)26-13-11-25(12-14-26)17-3-1-2-10-22-17/h1-7,10H,8-9,11-14H2/p+1