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

Systemtic Name: 1-(2-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Openeye Name: 1-(2-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide CAS Name: 1-(2-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-benzimidazolecarboxamide IUPAC Name: 1-(2-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Traditional Name: 1-(2-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzimidazole-5-carboxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C22H26N4O3/c1-28-21-6-3-2-5-20(21)26-16-24-18-15-17(7-8-19(18)26)22(27)23-9-4-10-25-11-13-29-14-12-25/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,23,27)/p+1