3-[2-(1-methylpyridin-1-ium-3-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[2-(1-methylpyridin-1-ium-3-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile Openeye Name: 3-[2-(1-methylpyridin-1-ium-3-yl)thiazol-4-yl]-1H-indole-5-carbonitrile CAS Name: 3-[2-(1-methyl-3-pyridin-1-iumyl)-4-thiazolyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[2-(1-methylpyridin-1-ium-3-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile Traditional Name: 3-[2-(1-methylpyridin-1-ium-3-yl)thiazol-4-yl]-1H-indole-5-carbonitrile Formula: C18H13N4S+ MolecularWeight: 317.38762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C18H13N4S/c1-22-6-2-3-13(10-22)18-21-17(11-23-18)15-9-20-16-5-4-12(8-19)7-14(15)16/h2-7,9-11,20H,1H3/q+1