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

Systemtic Name: 2-(4-chlorophenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile CAS Name: 2-(4-chlorophenyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile Formula: C21H20ClN4O+ MolecularWeight: 379.8627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O/c22-18-8-6-17(7-9-18)20-24-19(14-23)21(27-20)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h1-9H,10-13,15H2/p+1