ethyl 1-[2-(3-chloranylphenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-chloranylphenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(3-chlorophenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-chlorophenoxy)ethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chlorophenoxy)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-chlorophenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H27ClNO3+ MolecularWeight: 388.90768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClNO3/c1-2-26-21(25)22(18-7-4-3-5-8-18)11-13-24(14-12-22)15-16-27-20-10-6-9-19(23)17-20/h3-10,17H,2,11-16H2,1H3/p+1