5-methoxy-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole iodide

Systemtic Name: 5-methoxy-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole iodide Openeye Name: 5-methoxy-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole iodide CAS Name: 5-methoxy-3-[(1-methyl-3-pyridin-1-iumyl)methyl]-1H-indole iodide IUPAC Name: 5-methoxy-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole iodide Traditional Name: 5-methoxy-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole iodide Formula: C16H17IN2O MolecularWeight: 380.22345

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC2=CNC3=C2C=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC2=CNC3=C2C=C(C=C3)OC.[I-]

InChI

InChI=1S/C16H17N2O.HI/c1-18-7-3-4-12(11-18)8-13-10-17-16-6-5-14(19-2)9-15(13)16;/h3-7,9-11,17H,8H2,1-2H3;1H/q+1;/p-1