(5-bromanyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-bromobenzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-bromo-2-benzofuranyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-bromobenzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H17BrN3O2+ MolecularWeight: 387.25048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C18H16BrN3O2/c19-14-4-5-15-13(11-14)12-16(24-15)18(23)22-9-7-21(8-10-22)17-3-1-2-6-20-17/h1-6,11-12H,7-10H2/p+1