(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-hydroxyphenyl)propanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-hydroxyphenyl)propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-hydroxyphenyl)propanoate CAS Name: 2-cyclopentyl-2-(4-hydroxyphenyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-hydroxyphenyl)propanoate Traditional Name: 2-cyclopentyl-2-(4-hydroxyphenyl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C21H32NO3+ MolecularWeight: 346.48368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC1)(C2=CC=C(C=C2)O)C(=O)OC3CC[N+](CC3)(C)C

Isomeric SMILES

CC(C1CCCC1)(C2=CC=C(C=C2)O)C(=O)OC3CC[N+](CC3)(C)C

InChI

InChI=1S/C21H31NO3/c1-21(16-6-4-5-7-16,17-8-10-18(23)11-9-17)20(24)25-19-12-14-22(2,3)15-13-19/h8-11,16,19H,4-7,12-15H2,1-3H3/p+1