2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide

Systemtic Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide Openeye Name: 1-(4-benzyloxyphenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide CAS Name: 2-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-(4-phenylmethoxyphenyl)-5-benzimidazolecarboxamide IUPAC Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide Traditional Name: 1-(4-benzoxyphenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=C(C=C3)OCC4=CC=CC=C4)C=CC(=C2)C(=O)NCC[NH+]5CCOCC5

Isomeric SMILES

CC1=NC2=C(N1C3=CC=C(C=C3)OCC4=CC=CC=C4)C=CC(=C2)C(=O)NCC[NH+]5CCOCC5

InChI

InChI=1S/C28H30N4O3/c1-21-30-26-19-23(28(33)29-13-14-31-15-17-34-18-16-31)7-12-27(26)32(21)24-8-10-25(11-9-24)35-20-22-5-3-2-4-6-22/h2-12,19H,13-18,20H2,1H3,(H,29,33)/p+1