N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-iodanyl-3-methoxy-2-prop-2-enoxy-benzamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-iodanyl-3-methoxy-2-prop-2-enoxy-benzamide Openeye Name: 2-allyloxy-5-iodo-3-methoxy-N-[(3S)-quinuclidin-3-yl]benzamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-iodo-3-methoxy-2-prop-2-enoxybenzamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-iodo-3-methoxy-2-prop-2-enoxybenzamide Traditional Name: 2-allyloxy-5-iodo-3-methoxy-N-[(3S)-quinuclidin-3-yl]benzamide Formula: C18H23IN2O3 MolecularWeight: 442.29129

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)I)C(=O)NC2CN3CCC2CC3)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)I)C(=O)N[C@@H]2CN3CCC2CC3)OCC=C

InChI

InChI=1S/C18H23IN2O3/c1-3-8-24-17-14(9-13(19)10-16(17)23-2)18(22)20-15-11-21-6-4-12(15)5-7-21/h3,9-10,12,15H,1,4-8,11H2,2H3,(H,20,22)/t15-/m1/s1