N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)-3H-benzimidazole-5-carboxamide Formula: C26H34N5O+ MolecularWeight: 432.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C26H33N5O/c32-26(22-10-11-24-25(14-22)29-19-28-24)31(16-20-6-4-12-27-15-20)18-21-7-5-13-30(17-21)23-8-2-1-3-9-23/h4,6,10-12,14-15,19,21,23H,1-3,5,7-9,13,16-18H2,(H,28,29)/p+1/t21-/m0/s1