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

Systemtic Name: ethyl 1-[(3-hydroxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-hydroxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-hydroxyphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-hydroxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-hydroxybenzyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30NO4+ MolecularWeight: 384.4886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-2-27-22(26)23(13-16-28-21-9-4-3-5-10-21)11-14-24(15-12-23)18-19-7-6-8-20(25)17-19/h3-10,17,25H,2,11-16,18H2,1H3/p+1