2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]sulfonylbenzonitrile Formula: C19H20N5O2S+ MolecularWeight: 382.4594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=C[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H19N5O2S/c20-13-16-5-1-2-6-18(16)27(25,26)24-11-9-22(10-12-24)14-17-15-23-8-4-3-7-19(23)21-17/h1-8,15H,9-12,14H2/p+1