1-(5-bromanylthiophen-2-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-thienyl)methanimine CAS Name: 1-(5-bromo-2-thiophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-[(5-bromo-2-thienyl)methylene]amine Formula: C16H19BrN3S+ MolecularWeight: 365.31116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/N=C\C3=CC=C(S3)Br

InChI

InChI=1S/C16H18BrN3S/c17-16-7-6-15(21-16)12-18-20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1/b18-12-