2-(1-benzofuran-4-yl)-N-[2-bromanyl-1-(3-phenylpropyl)pyridin-1-ium-4-yl]ethanamide bromide

Systemtic Name: 2-(1-benzofuran-4-yl)-N-[2-bromanyl-1-(3-phenylpropyl)pyridin-1-ium-4-yl]ethanamide bromide Openeye Name: 2-(benzofuran-4-yl)-N-[2-bromo-1-(3-phenylpropyl)pyridin-1-ium-4-yl]acetamide bromide CAS Name: 2-(4-benzofuranyl)-N-[2-bromo-1-(3-phenylpropyl)-4-pyridin-1-iumyl]acetamide bromide IUPAC Name: 2-(1-benzofuran-4-yl)-N-[2-bromo-1-(3-phenylpropyl)pyridin-1-ium-4-yl]acetamide bromide Traditional Name: 2-(benzofuran-4-yl)-N-[2-bromo-1-(3-phenylpropyl)pyridin-1-ium-4-yl]acetamide bromide Formula: C24H22Br2N2O2 MolecularWeight: 530.25168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[N+]2=C(C=C(C=C2)NC(=O)CC3=C4C=COC4=CC=C3)Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCC[N+]2=C(C=C(C=C2)NC(=O)CC3=C4C=COC4=CC=C3)Br.[Br-]

InChI

InChI=1S/C24H21BrN2O2.BrH/c25-23-17-20(11-14-27(23)13-5-8-18-6-2-1-3-7-18)26-24(28)16-19-9-4-10-22-21(19)12-15-29-22;/h1-4,6-7,9-12,14-15,17H,5,8,13,16H2;1H