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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-4-quinolyl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methyl-4-quinolinyl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methyl-4-quinolyl)acetamide Formula: C20H19N4OS+ MolecularWeight: 363.45606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C20H18N4OS/c1-13-11-17(14-7-3-4-8-15(14)21-13)22-19(25)12-26-20-23-16-9-5-6-10-18(16)24(20)2/h3-11H,12H2,1-2H3,(H,21,22,25)/p+1