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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4O2/c23-15-20-22(28-21(24-20)17-27-19-9-5-2-6-10-19)26-13-11-25(12-14-26)16-18-7-3-1-4-8-18/h1-10H,11-14,16-17H2/p+1