3-[(2-chlorophenyl)methyl]-5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[(2-chlorophenyl)methyl]-5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-[(2-chlorophenyl)methyl]-5-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(2-chlorophenyl)methyl]-5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(2-chlorobenzyl)-5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C16H22ClN4O+ MolecularWeight: 321.82508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC(=NO2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC(=NO2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H21ClN4O/c1-2-20-7-9-21(10-8-20)12-16-18-15(19-22-16)11-13-5-3-4-6-14(13)17/h3-6H,2,7-12H2,1H3/p+1