(1,1-dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-pyrrolidin-1-yl-propanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-pyrrolidin-1-yl-propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-pyrrolidin-1-yl-propanoate CAS Name: 2-phenyl-2-(1-pyrrolidinyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate Traditional Name: 2-phenyl-2-pyrrolidino-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCC3

InChI

InChI=1S/C20H31N2O2/c1-20(21-13-7-8-14-21,17-9-5-4-6-10-17)19(23)24-18-11-15-22(2,3)16-12-18/h4-6,9-10,18H,7-8,11-16H2,1-3H3/q+1