1-[(5-bromanylthiophen-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium Formula: C18H22BrN2S+ MolecularWeight: 378.34968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC=C(S3)Br

InChI

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