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

Systemtic Name: 2-(2-methoxyphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)oxazole-4-carbonitrile CAS Name: 2-(2-methoxyphenyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)oxazole-4-carbonitrile Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4O2/c1-27-20-10-6-5-9-18(20)21-24-19(15-23)22(28-21)26-13-11-25(12-14-26)16-17-7-3-2-4-8-17/h2-10H,11-14,16H2,1H3/p+1