1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-propyl-pyridin-1-ium

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-propyl-pyridin-1-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-propyl-pyridin-1-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-propylpyridin-1-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-propylpyridin-1-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-propyl-pyridin-1-ium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C17H21BrNO2/c1-4-5-13-6-8-19(9-7-13)12-14-10-16(20-2)17(21-3)11-15(14)18/h6-11H,4-5,12H2,1-3H3/q+1