2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C21H25N3O2S/c1-4-15-9-8-10-16(5-2)20(15)24(14-26-3)19(25)13-27-21-22-17-11-6-7-12-18(17)23-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)/p+1