2-methyl-1-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide

Systemtic Name: 2-methyl-1-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: 1-(4-benzyloxyphenyl)-2-methyl-N-(3-pyridylmethyl)-3H-benzimidazol-1-ium-5-carboxamide CAS Name: 2-methyl-1-(4-phenylmethoxyphenyl)-N-(3-pyridinylmethyl)-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: 2-methyl-1-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: 1-(4-benzoxyphenyl)-2-methyl-N-(3-pyridylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Formula: C28H25N4O2+ MolecularWeight: 449.5237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1)C=C(C=C2)C(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C2=C(N1)C=C(C=C2)C(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O2/c1-20-31-26-16-23(28(33)30-18-22-8-5-15-29-17-22)9-14-27(26)32(20)24-10-12-25(13-11-24)34-19-21-6-3-2-4-7-21/h2-17H,18-19H2,1H3,(H,30,33)/p+1