5-methoxy-3-[[1-(phenylmethyl)pyridin-1-ium-3-yl]methyl]-1H-indole bromide

Systemtic Name: 5-methoxy-3-[[1-(phenylmethyl)pyridin-1-ium-3-yl]methyl]-1H-indole bromide Openeye Name: 3-[(1-benzylpyridin-1-ium-3-yl)methyl]-5-methoxy-1H-indole bromide CAS Name: 5-methoxy-3-[[1-(phenylmethyl)-3-pyridin-1-iumyl]methyl]-1H-indole bromide IUPAC Name: 3-[(1-benzylpyridin-1-ium-3-yl)methyl]-5-methoxy-1H-indole bromide Traditional Name: 3-[(1-benzylpyridin-1-ium-3-yl)methyl]-5-methoxy-1H-indole bromide Formula: C22H21BrN2O MolecularWeight: 409.31894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC3=C[N+](=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC3=C[N+](=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H21N2O.BrH/c1-25-20-9-10-22-21(13-20)19(14-23-22)12-18-8-5-11-24(16-18)15-17-6-3-2-4-7-17;/h2-11,13-14,16,23H,12,15H2,1H3;1H/q+1;/p-1