(5-bromanyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromobenzofuran-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-benzofuranyl)-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromobenzofuran-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H20BrN3O2/c21-16-4-5-18-15(13-16)14-19(26-18)20(25)24-11-9-23(10-12-24)8-6-17-3-1-2-7-22-17/h1-5,7,13-14H,6,8-12H2/p+1