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

Systemtic Name: ethyl (3R)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-4-21-17(19)15-6-5-9-18(12-15)11-14-7-8-16(20-3)13(2)10-14/h7-8,10,15H,4-6,9,11-12H2,1-3H3/p+1/t15-/m1/s1