ethyl 1-[2-(4-chloranyl-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-chloranyl-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-chloro-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-chloro-3-methylphenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-chloro-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25ClNO3+ MolecularWeight: 326.8383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCOC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCOC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C17H24ClNO3/c1-3-21-17(20)14-6-8-19(9-7-14)10-11-22-15-4-5-16(18)13(2)12-15/h4-5,12,14H,3,6-11H2,1-2H3/p+1