ethyl 1-[[3-(4-chloranylphenoxy)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-chloranylphenoxy)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H25ClNO3+ MolecularWeight: 374.8811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO3/c1-2-25-21(24)17-10-12-23(13-11-17)15-16-4-3-5-20(14-16)26-19-8-6-18(22)7-9-19/h3-9,14,17H,2,10-13,15H2,1H3/p+1