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

Systemtic Name: N-(ethoxymethyl)-N-(2-ethyl-6-methyl-phenyl)-2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethanamide Openeye Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]acetamide IUPAC Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(COCC)C(=O)C[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1N(COCC)C(=O)C[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O2/c1-4-23-15-11-12-21(3)28(23)31(20-33-5-2)27(32)19-30-25-17-10-9-16-24(25)29-26(30)18-22-13-7-6-8-14-22/h6-17H,4-5,18-20H2,1-3H3/p+1