ethyl 1-[(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-hydroxy-5-(3-pyridyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-hydroxy-5-(3-pyridinyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-hydroxy-5-(3-pyridyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)C3=CN=CC=C3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)C3=CN=CC=C3)O

InChI

InChI=1S/C20H24N2O3/c1-2-25-20(24)15-7-10-22(11-8-15)14-18-12-16(5-6-19(18)23)17-4-3-9-21-13-17/h3-6,9,12-13,15,23H,2,7-8,10-11,14H2,1H3/p+1