N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-bromanyl-2-methoxy-3-propan-2-yloxy-benzamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-bromanyl-2-methoxy-3-propan-2-yloxy-benzamide Openeye Name: 5-bromo-3-isopropoxy-2-methoxy-N-[(3S)-quinuclidin-3-yl]benzamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-bromo-2-methoxy-3-propan-2-yloxybenzamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-bromo-2-methoxy-3-propan-2-yloxybenzamide Traditional Name: 5-bromo-3-isopropoxy-2-methoxy-N-[(3S)-quinuclidin-3-yl]benzamide Formula: C18H25BrN2O3 MolecularWeight: 397.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=CC(=C1)Br)C(=O)NC2CN3CCC2CC3)OC

Isomeric SMILES

CC(C)OC1=C(C(=CC(=C1)Br)C(=O)N[C@@H]2CN3CCC2CC3)OC

InChI

InChI=1S/C18H25BrN2O3/c1-11(2)24-16-9-13(19)8-14(17(16)23-3)18(22)20-15-10-21-6-4-12(15)5-7-21/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,20,22)/t15-/m1/s1