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

Systemtic Name: 2-(4-tert-butylphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenyl)oxazole-4-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenyl)oxazole-4-carbonitrile Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H28N4O/c1-25(2,3)21-11-9-20(10-12-21)23-27-22(17-26)24(30-23)29-15-13-28(14-16-29)18-19-7-5-4-6-8-19/h4-12H,13-16,18H2,1-3H3/p+1