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

Systemtic Name: 2-(4-tert-butylphenyl)-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenyl)oxazole-4-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenyl)oxazole-4-carbonitrile Formula: C31H33N4O+ MolecularWeight: 477.61992

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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)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C31H32N4O/c1-31(2,3)26-16-14-25(15-17-26)29-33-27(22-32)30(36-29)35-20-18-34(19-21-35)28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,28H,18-21H2,1-3H3/p+1