N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloranyl-7-nitro-1H-benzimidazole-4-carboxamide

Systemtic Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloranyl-7-nitro-1H-benzimidazole-4-carboxamide Openeye Name: 6-chloro-7-nitro-N-[(3S)-quinuclidin-1-ium-3-yl]-1H-benzimidazole-4-carboxamide CAS Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloro-7-nitro-1H-benzimidazole-4-carboxamide IUPAC Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloro-7-nitro-1H-benzimidazole-4-carboxamide Traditional Name: 6-chloro-7-nitro-N-[(3S)-quinuclidin-1-ium-3-yl]-1H-benzimidazole-4-carboxamide Formula: C15H17ClN5O3+ MolecularWeight: 350.78018

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)/p+1/t11-/m1/s1