1-azabicyclo[3.3.1]nonan-2-yl 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate; bromanylmethane

Systemtic Name: 1-azabicyclo[3.3.1]nonan-2-yl 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate; bromanylmethane Openeye Name: 1-azabicyclo[3.3.1]nonan-2-yl 2-hydroxy-2-phenyl-2-(2-thienyl)acetate; bromomethane CAS Name: bromomethane; 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid 1-azabicyclo[3.3.1]nonan-2-yl ester IUPAC Name: 1-azabicyclo[3.3.1]nonan-2-yl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate; bromomethane Traditional Name: bromomethane; 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid 1-azabicyclo[3.3.1]nonan-2-yl ester Formula: C21H26BrNO3S MolecularWeight: 452.40504

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Descriptors Computed from Structure

Canonical SMILES:

CBr.C1CC2CCC(N(C1)C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O

Isomeric SMILES

CBr.C1CC2CCC(N(C1)C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O

InChI

InChI=1S/C20H23NO3S.CH3Br/c22-19(24-18-11-10-15-6-4-12-21(18)14-15)20(23,17-9-5-13-25-17)16-7-2-1-3-8-16;1-2/h1-3,5,7-9,13,15,18,23H,4,6,10-12,14H2;1H3