ethyl 1-[2-(2-chloranyl-3,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-chloranyl-3,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2-chloro-3,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-chloro-3,6-dimethylphenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chloro-3,6-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-chloro-3,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27ClNO3+ MolecularWeight: 340.86488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCOC2=C(C=CC(=C2Cl)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCOC2=C(C=CC(=C2Cl)C)C

InChI

InChI=1S/C18H26ClNO3/c1-4-22-18(21)15-7-9-20(10-8-15)11-12-23-17-14(3)6-5-13(2)16(17)19/h5-6,15H,4,7-12H2,1-3H3/p+1