2-cyclobutyl-1-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-[[(2R)-oxolan-2-yl]carbonylamino]benzimidazole-5-carboxamide

Systemtic Name: 2-cyclobutyl-1-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-[[(2R)-oxolan-2-yl]carbonylamino]benzimidazole-5-carboxamide Openeye Name: 2-cyclobutyl-1-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-[[(2R)-tetrahydrofuran-2-carbonyl]amino]benzimidazole-5-carboxamide CAS Name: 2-cyclobutyl-1-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-7-[[oxo-[(2R)-2-oxolanyl]methyl]amino]-5-benzimidazolecarboxamide IUPAC Name: 2-cyclobutyl-1-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-[[(2R)-oxolane-2-carbonyl]amino]benzimidazole-5-carboxamide Traditional Name: 2-cyclobutyl-1-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-[[(2R)-tetrahydrofuran-2-carbonyl]amino]benzimidazole-5-carboxamide Formula: C25H36N5O4+ MolecularWeight: 470.58444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=CC(=C2)C(=O)NCCC[NH+]3CCOCC3)NC(=O)C4CCCO4)C5CCC5

Isomeric SMILES

CN1C(=NC2=C1C(=CC(=C2)C(=O)NCCC[NH+]3CCOCC3)NC(=O)[C@H]4CCCO4)C5CCC5

InChI

InChI=1S/C25H35N5O4/c1-29-22-19(27-23(29)17-5-2-6-17)15-18(16-20(22)28-25(32)21-7-3-12-34-21)24(31)26-8-4-9-30-10-13-33-14-11-30/h15-17,21H,2-14H2,1H3,(H,26,31)(H,28,32)/p+1/t21-/m1/s1