2-(2-methylphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(2-methylphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(o-tolyl)oxazole-4-carbonitrile CAS Name: 2-(2-methylphenyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(o-tolyl)oxazole-4-carbonitrile Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4O/c1-17-7-5-6-10-19(17)21-24-20(15-23)22(27-21)26-13-11-25(12-14-26)16-18-8-3-2-4-9-18/h2-10H,11-14,16H2,1H3/p+1