1-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazin-4-ium Openeye Name: 1-[[5-(3-bromophenyl)-2-thienyl]methyl]piperazin-4-ium CAS Name: 1-[[5-(3-bromophenyl)-2-thiophenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[5-(3-bromophenyl)-2-thienyl]methyl]piperazin-4-ium Formula: C15H18BrN2S+ MolecularWeight: 338.28582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=C(S2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=C(S2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H17BrN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2/p+1