1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-pentan-3-yl-pyridin-1-ium

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-pentan-3-yl-pyridin-1-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-(1-ethylpropyl)pyridin-1-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-pentan-3-ylpyridin-1-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-pentan-3-ylpyridin-1-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-(1-ethylpropyl)pyridin-1-ium Formula: C19H25BrNO2+ MolecularWeight: 379.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrNO2/c1-5-14(6-2)15-7-9-21(10-8-15)13-16-11-18(22-3)19(23-4)12-17(16)20/h7-12,14H,5-6,13H2,1-4H3/q+1