6-chloranyl-N-[(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 6-chloranyl-N-[(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 6-chloro-N-[(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-1H-benzimidazole-4-carboxamide CAS Name: 6-chloro-N-[(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-1H-benzimidazole-4-carboxamide IUPAC Name: 6-chloro-N-[(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 6-chloro-N-[(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-1H-benzimidazole-4-carboxamide Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCCC1CC(C2)NC(=O)C3=CC(=CC4=C3N=CN4)Cl

Isomeric SMILES

C[NH+]1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=CC(=CC4=C3N=CN4)Cl

InChI

InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)/p+1/t11?,12-,13+