6-methoxy-3-[1-(phenylmethyl)pyridin-1-ium-4-yl]-1H-indole bromide

Systemtic Name: 6-methoxy-3-[1-(phenylmethyl)pyridin-1-ium-4-yl]-1H-indole bromide Openeye Name: 3-(1-benzylpyridin-1-ium-4-yl)-6-methoxy-1H-indole bromide CAS Name: 6-methoxy-3-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1H-indole bromide IUPAC Name: 3-(1-benzylpyridin-1-ium-4-yl)-6-methoxy-1H-indole bromide Traditional Name: 3-(1-benzylpyridin-1-ium-4-yl)-6-methoxy-1H-indole bromide Formula: C21H19BrN2O MolecularWeight: 395.29236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)C3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2)C3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H18N2O.BrH/c1-24-18-7-8-19-20(14-22-21(19)13-18)17-9-11-23(12-10-17)15-16-5-3-2-4-6-16;/h2-14H,15H2,1H3;1H