1-(4-ethoxyphenyl)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Openeye Name: 1-(4-ethoxyphenyl)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide CAS Name: 1-(4-ethoxyphenyl)-2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-5-benzimidazolecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Traditional Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-p-phenetyl-benzimidazole-5-carboxamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4)C

InChI

InChI=1S/C24H30N4O3/c1-3-31-21-8-6-20(7-9-21)28-18(2)26-22-17-19(5-10-23(22)28)24(29)25-11-4-12-27-13-15-30-16-14-27/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,29)/p+1