2-[4-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2-keto-3H-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H20N5O3S+ MolecularWeight: 398.4588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H19N5O3S/c20-13-15-5-1-4-8-18(15)28(26,27)23-11-9-22(10-12-23)14-24-17-7-3-2-6-16(17)21-19(24)25/h1-8H,9-12,14H2,(H,21,25)/p+1