(7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (7-fluoro-3-methyl-2-benzofuranyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H22FN3O2/c1-15-17-7-4-8-18(22)20(17)27-19(15)21(26)25-11-5-10-24(12-13-25)14-16-6-2-3-9-23-16/h2-4,6-9H,5,10-14H2,1H3/p+1