ethyl 1-[(4-hydroxyphenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-hydroxyphenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-hydroxyphenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxyphenyl)methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hydroxyphenyl)methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(4-hydroxybenzyl)-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO3/c1-2-27-22(26)23(13-12-19-6-4-3-5-7-19)14-16-24(17-15-23)18-20-8-10-21(25)11-9-20/h3-11,25H,2,12-18H2,1H3/p+1