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

Systemtic Name: 3-[(1-ethylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide Openeye Name: 3-[(1-ethylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide CAS Name: 3-[(1-ethyl-3-pyridin-1-iumyl)methyl]-1H-indole-5-carbonitrile bromide IUPAC Name: 3-[(1-ethylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide Traditional Name: 3-[(1-ethylpyridin-1-ium-3-yl)methyl]-1H-indole-5-carbonitrile bromide Formula: C17H16BrN3 MolecularWeight: 342.23304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N3.BrH/c1-2-20-7-3-4-14(12-20)8-15-11-19-17-6-5-13(10-18)9-16(15)17;/h3-7,9,11-12,19H,2,8H2,1H3;1H/q+1;/p-1