ethyl 1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2-isopropyl-5-methyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-isopropyl-5-methyl-phenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCOC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCOC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C21H33NO3/c1-5-24-21(23)18-9-12-22(13-10-18)11-6-14-25-20-15-17(4)7-8-19(20)16(2)3/h7-8,15-16,18H,5-6,9-14H2,1-4H3/p+1