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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-methoxyphenyl)propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-methoxyphenyl)propanoate CAS Name: 2-cyclopentyl-2-(4-methoxyphenyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-methoxyphenyl)propanoate Traditional Name: 2-cyclopentyl-2-(4-methoxyphenyl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C22H34NO3+ MolecularWeight: 360.51026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34NO3/c1-22(17-7-5-6-8-17,18-9-11-19(25-4)12-10-18)21(24)26-20-13-15-23(2,3)16-14-20/h9-12,17,20H,5-8,13-16H2,1-4H3/q+1