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

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-[(E)-cinnamyl]piperazine-1,4-diium CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-[(E)-cinnamyl]piperazine-1,4-diium Formula: C18H23BrN2S+2 MolecularWeight: 379.35762

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=CS3)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=CS3)Br

InChI

InChI=1S/C18H21BrN2S/c19-17-13-18(22-15-17)14-21-11-9-20(10-12-21)8-4-7-16-5-2-1-3-6-16/h1-7,13,15H,8-12,14H2/p+2/b7-4+