(5-bromanyl-2-chloranyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-chloranyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2-chloro-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-chlorophenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-2-chlorophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2-chloro-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C16H17BrClN2OS+ MolecularWeight: 400.74098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C16H16BrClN2OS/c17-13-1-2-15(18)14(9-13)16(21)20-6-4-19(5-7-20)10-12-3-8-22-11-12/h1-3,8-9,11H,4-7,10H2/p+1