1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]-4-propyl-pyridin-1-ium bromide

Systemtic Name: 1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]-4-propyl-pyridin-1-ium bromide Openeye Name: 1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]-4-propyl-pyridin-1-ium bromide CAS Name: 1-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]-4-propylpyridin-1-ium bromide IUPAC Name: 1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]-4-propylpyridin-1-ium bromide Traditional Name: 1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]-4-propyl-pyridin-1-ium bromide Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C23H21N2O3.BrH/c1-2-6-17-11-13-24(14-12-17)16-18-9-10-21-20(15-18)22(23(28-21)25(26)27)19-7-4-3-5-8-19;/h3-5,7-15H,2,6,16H2,1H3;1H/q+1;/p-1