ethyl 1-[[3-(2-hydroxyethyloxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2-hydroxyethyloxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-hydroxyethoxy)benzyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO5+ MolecularWeight: 428.54116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)OCCO)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)OCCO)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H33NO5/c1-2-29-24(28)25(13-17-30-22-8-4-3-5-9-22)11-14-26(15-12-25)20-21-7-6-10-23(19-21)31-18-16-27/h3-10,19,27H,2,11-18,20H2,1H3/p+1