2-morpholin-4-ium-4-ylethyl 3,5-ditert-butylbenzoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3,5-ditert-butylbenzoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC[NH+]2CCOCC2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC[NH+]2CCOCC2)C(C)(C)C

InChI

InChI=1S/C21H33NO3/c1-20(2,3)17-13-16(14-18(15-17)21(4,5)6)19(23)25-12-9-22-7-10-24-11-8-22/h13-15H,7-12H2,1-6H3/p+1