2-(3-methylphenyl)-5-[(1S)-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3-methylphenyl)-5-[(1S)-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Openeye Name: 2-(m-tolyl)-5-[(1S)-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole CAS Name: 2-(3-methylphenyl)-5-[(1S)-1-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1,3,4-oxadiazole IUPAC Name: 2-(3-methylphenyl)-5-[(1S)-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Traditional Name: 2-(m-tolyl)-5-[(1S)-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-16-7-6-8-18(15-16)21-23-22-20(26-21)17(2)24-11-13-25(14-12-24)19-9-4-3-5-10-19/h3-10,15,17H,11-14H2,1-2H3/p+1/t17-/m0/s1