2-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C20H22N4O2/c1-15-5-4-6-16(13-15)20-22-21-19(26-20)14-23-9-11-24(12-10-23)17-7-2-3-8-18(17)25/h2-8,13,25H,9-12,14H2,1H3/p+1