2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-12-7-8-14-15(9-12)20-17(19-14)22-11-16(21)18-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)/p+1