2-piperidin-1-ium-1-ylethyl 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(4-tert-butylphenoxy)methyl]-2-furancarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C23H32NO4+ MolecularWeight: 386.50448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OCC[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OCC[NH+]3CCCCC3

InChI

InChI=1S/C23H31NO4/c1-23(2,3)18-7-9-19(10-8-18)27-17-20-11-12-21(28-20)22(25)26-16-15-24-13-5-4-6-14-24/h7-12H,4-6,13-17H2,1-3H3/p+1