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

Systemtic Name: N-(2-methylquinolin-4-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-4-quinolyl)acetamide CAS Name: N-(2-methyl-4-quinolinyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methyl-4-quinolyl)acetamide Formula: C26H23N4OS+ MolecularWeight: 439.55202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4OS/c1-18-15-23(20-11-5-6-12-21(20)27-18)28-25(31)17-32-26-29-22-13-7-8-14-24(22)30(26)16-19-9-3-2-4-10-19/h2-15H,16-17H2,1H3,(H,27,28,31)/p+1