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

Systemtic Name: 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C21H25N3OS+2 MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N3OS/c1-2-6-18(7-3-1)8-4-10-23-11-13-24(14-12-23)17-19-16-20(25-22-19)21-9-5-15-26-21/h1-9,15-16H,10-14,17H2/p+2/b8-4+