bromanylmethane; 2-(1-methylpiperidin-3-yl)-2-phenoxy-2-phenyl-ethanoate

Systemtic Name: bromanylmethane; 2-(1-methylpiperidin-3-yl)-2-phenoxy-2-phenyl-ethanoate Openeye Name: bromomethane; 2-(1-methyl-3-piperidyl)-2-phenoxy-2-phenyl-acetate CAS Name: bromomethane; 2-(1-methyl-3-piperidinyl)-2-phenoxy-2-phenylacetate IUPAC Name: bromomethane; 2-(1-methylpiperidin-3-yl)-2-phenoxy-2-phenylacetate Traditional Name: bromomethane; 2-(1-methyl-3-piperidyl)-2-phenoxy-2-phenyl-acetate Formula: C21H25BrNO3- MolecularWeight: 419.3321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])OC3=CC=CC=C3.CBr

Isomeric SMILES

CN1CCCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])OC3=CC=CC=C3.CBr

InChI

InChI=1S/C20H23NO3.CH3Br/c1-21-14-8-11-17(15-21)20(19(22)23,16-9-4-2-5-10-16)24-18-12-6-3-7-13-18;1-2/h2-7,9-10,12-13,17H,8,11,14-15H2,1H3,(H,22,23);1H3/p-1