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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)Br

InChI

InChI=1S/C17H19BrN2O2S/c1-22-16-5-4-13(11-15(16)18)17(21)20-8-6-19(7-9-20)12-14-3-2-10-23-14/h2-5,10-11H,6-9,12H2,1H3/p+1