[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-1-benzofuran-2-yl]methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-1-benzofuran-2-yl]methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[3-(ethoxymethyl)benzofuran-2-yl]methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[3-(ethoxymethyl)-2-benzofuranyl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-1-benzofuran-2-yl]methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[3-(ethoxymethyl)benzofuran-2-yl]methanone Formula: C21H24BrN2O3S+ MolecularWeight: 464.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C21H23BrN2O3S/c1-2-26-14-17-16-5-3-4-6-18(16)27-20(17)21(25)24-11-9-23(10-12-24)13-15-7-8-19(22)28-15/h3-8H,2,9-14H2,1H3/p+1