ethyl 1-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxyethyl)-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCO)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCO)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C18H27NO4/c1-3-23-17(21)18(7-9-19(10-8-18)11-12-20)14-15-5-4-6-16(13-15)22-2/h4-6,13,20H,3,7-12,14H2,1-2H3/p+1