1-benzofuran-2-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H19N3O2/c23-19(18-13-16-3-1-2-4-17(16)24-18)22-11-9-21(10-12-22)14-15-5-7-20-8-6-15/h1-8,13H,9-12,14H2/p+1