2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C20H22N4OS/c1-23-18-7-3-2-6-17(18)22-20(23)26-14-19(25)21-15-8-10-16(11-9-15)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,25)/p+1