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

Systemtic Name: 2-tert-butyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-tert-butyl-oxazole-4-carbonitrile CAS Name: 2-tert-butyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-tert-butyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-tert-butyl-oxazole-4-carbonitrile Formula: C19H25N4O+ MolecularWeight: 325.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H24N4O/c1-19(2,3)18-21-16(13-20)17(24-18)23-11-9-22(10-12-23)14-15-7-5-4-6-8-15/h4-8H,9-12,14H2,1-3H3/p+1