ethyl (3S)-1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(2-methoxy-4-methylphenoxy)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(2-methoxy-4-methylphenoxy)propyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(2-methoxy-4-methyl-phenoxy)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H30NO4+ MolecularWeight: 336.4458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCOC2=C(C=C(C=C2)C)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCOC2=C(C=C(C=C2)C)OC

InChI

InChI=1S/C19H29NO4/c1-4-23-19(21)16-7-5-10-20(14-16)11-6-12-24-17-9-8-15(2)13-18(17)22-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3/p+1/t16-/m0/s1