ethyl (3R)-1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(3-bromo-4-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(3-bromo-4-methoxy-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H23BrNO3+ MolecularWeight: 357.26272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C16H22BrNO3/c1-3-21-16(19)13-5-4-8-18(11-13)10-12-6-7-15(20-2)14(17)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3/p+1/t13-/m1/s1