ethyl 1-[2-(2-methyl-5-propan-2-yl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-methyl-5-propan-2-yl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(5-isopropyl-2-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-isopropyl-2-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO3+ MolecularWeight: 334.47298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3/c1-5-23-20(22)17-8-10-21(11-9-17)12-13-24-19-14-18(15(2)3)7-6-16(19)4/h6-7,14-15,17H,5,8-13H2,1-4H3/p+1