5-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 5-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]isoxazole IUPAC Name: 5-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole Formula: C23H27N3O+2 MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O/c1-3-8-20(9-4-1)10-7-13-25-14-16-26(17-15-25)19-22-18-23(27-24-22)21-11-5-2-6-12-21/h1-12,18H,13-17,19H2/p+2/b10-7+