ethyl 1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-hydroxy-6-methoxy-phenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-6-methoxyphenyl)methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-hydroxy-6-methoxyphenyl)methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxy-6-methoxy-benzyl)-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32NO4+ MolecularWeight: 398.51518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=CC=C2OC)O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=CC=C2OC)O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4/c1-3-29-23(27)24(13-12-19-8-5-4-6-9-19)14-16-25(17-15-24)18-20-21(26)10-7-11-22(20)28-2/h4-11,26H,3,12-18H2,1-2H3/p+1