3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide

Systemtic Name: 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide Openeye Name: 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide CAS Name: 3-[(1-methyl-3-pyridin-1-iumyl)methyl]-1H-indole-5-carbonitrile bromide IUPAC Name: 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide Traditional Name: 3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide Formula: C16H14BrN3 MolecularWeight: 328.20646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N3.BrH/c1-19-6-2-3-13(11-19)7-14-10-18-16-5-4-12(9-17)8-15(14)16;/h2-6,8,10-11,18H,7H2,1H3;1H/q+1;/p-1