4-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(5-phenyloxazol-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-phenyl-2-oxazolyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(5-phenyloxazol-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C22H24N4O+2 MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O/c23-14-18-6-8-19(9-7-18)16-25-10-12-26(13-11-25)17-22-24-15-21(27-22)20-4-2-1-3-5-20/h1-9,15H,10-13,16-17H2/p+2