N-(2,6-diethylphenyl)-N-(methoxymethyl)-2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-N-(methoxymethyl)-2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethanamide Openeye Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide CAS Name: N-(2,6-diethylphenyl)-N-(methoxymethyl)-2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]acetamide IUPAC Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Traditional Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N(COC)C(=O)C[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N(COC)C(=O)C[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

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