1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide

Systemtic Name: 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Openeye Name: 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide CAS Name: 1-(2,5-dimethoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-benzimidazolecarboxamide IUPAC Name: 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Traditional Name: 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C=NC3=C2C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C=NC3=C2C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4O4/c1-29-18-5-7-22(30-2)21(15-18)27-16-25-19-14-17(4-6-20(19)27)23(28)24-8-3-9-26-10-12-31-13-11-26/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28)/p+1