[3-[(3-chlorophenyl)methyl]-3-[(4-cyanophenyl)methyl]imidazol-3-ium-4-yl]methanesulfonamide

Systemtic Name: [3-[(3-chlorophenyl)methyl]-3-[(4-cyanophenyl)methyl]imidazol-3-ium-4-yl]methanesulfonamide Openeye Name: [3-[(3-chlorophenyl)methyl]-3-[(4-cyanophenyl)methyl]imidazol-3-ium-4-yl]methanesulfonamide CAS Name: [3-[(3-chlorophenyl)methyl]-3-[(4-cyanophenyl)methyl]-4-imidazol-3-iumyl]methanesulfonamide IUPAC Name: [3-[(3-chlorophenyl)methyl]-3-[(4-cyanophenyl)methyl]imidazol-3-ium-4-yl]methanesulfonamide Traditional Name: [3-(3-chlorobenzyl)-3-(4-cyanobenzyl)imidazol-3-ium-4-yl]methanesulfonamide Formula: C19H18ClN4O2S+ MolecularWeight: 401.88982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C[N+]2(C=NC=C2CS(=O)(=O)N)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C[N+]2(C=NC=C2CS(=O)(=O)N)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18ClN4O2S/c20-18-3-1-2-17(8-18)12-24(11-16-6-4-15(9-21)5-7-16)14-23-10-19(24)13-27(22,25)26/h1-8,10,14H,11-13H2,(H2,22,25,26)/q+1