methyl 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C21H32N2O4/c1-21(2,3)17-5-7-18(8-6-17)27-14-11-22-19(24)15-23-12-9-16(10-13-23)20(25)26-4/h5-8,16H,9-15H2,1-4H3,(H,22,24)/p+1