ethyl 1-[(6-methylpyridin-2-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-methylpyridin-2-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-methyl-2-pyridyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-methyl-2-pyridinyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-methylpyridin-2-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-methyl-2-pyridyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H31N2O3+ MolecularWeight: 383.50384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC(=N2)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC(=N2)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-3-27-22(26)23(14-17-28-21-10-5-4-6-11-21)12-15-25(16-13-23)18-20-9-7-8-19(2)24-20/h4-11H,3,12-18H2,1-2H3/p+1