N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloranyl-1-propan-2-yl-benzimidazole-4-carboxamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloranyl-1-propan-2-yl-benzimidazole-4-carboxamide Openeye Name: 6-chloro-1-isopropyl-N-[(3S)-quinuclidin-3-yl]benzimidazole-4-carboxamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-1-propan-2-yl-4-benzimidazolecarboxamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-1-propan-2-ylbenzimidazole-4-carboxamide Traditional Name: 6-chloro-1-isopropyl-N-[(3S)-quinuclidin-3-yl]benzimidazole-4-carboxamide Formula: C18H23ClN4O MolecularWeight: 346.85442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1C=C(C=C2C(=O)NC3CN4CCC3CC4)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1C=C(C=C2C(=O)N[C@@H]3CN4CCC3CC4)Cl

InChI

InChI=1S/C18H23ClN4O/c1-11(2)23-10-20-17-14(7-13(19)8-16(17)23)18(24)21-15-9-22-5-3-12(15)4-6-22/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,24)/t15-/m1/s1