ethyl (3R)-3-(4-methoxyphenyl)-3-piperidin-1-ium-4-yl-propanoate

Systemtic Name: ethyl (3R)-3-(4-methoxyphenyl)-3-piperidin-1-ium-4-yl-propanoate Openeye Name: ethyl (3R)-3-(4-methoxyphenyl)-3-piperidin-1-ium-4-yl-propanoate CAS Name: (3R)-3-(4-methoxyphenyl)-3-(4-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(4-methoxyphenyl)-3-piperidin-1-ium-4-ylpropanoate Traditional Name: (3R)-3-(4-methoxyphenyl)-3-piperidin-1-ium-4-yl-propionic acid ethyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CC[NH2+]CC1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C[C@H](C1CC[NH2+]CC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25NO3/c1-3-21-17(19)12-16(14-8-10-18-11-9-14)13-4-6-15(20-2)7-5-13/h4-7,14,16,18H,3,8-12H2,1-2H3/p+1/t16-/m0/s1