(1,1-dimethylpiperidin-1-ium-4-yl) (2S)-2-phenyl-2-piperidin-1-yl-propanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2S)-2-phenyl-2-piperidin-1-yl-propanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2S)-2-phenyl-2-(1-piperidyl)propanoate iodide CAS Name: (2S)-2-phenyl-2-(1-piperidinyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2S)-2-phenyl-2-piperidin-1-ylpropanoate iodide Traditional Name: (2S)-2-phenyl-2-piperidino-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H33IN2O2 MolecularWeight: 472.40339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCC3.[I-]

Isomeric SMILES

C[C@](C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCC3.[I-]

InChI

InChI=1S/C21H33N2O2.HI/c1-21(18-10-6-4-7-11-18,22-14-8-5-9-15-22)20(24)25-19-12-16-23(2,3)17-13-19;/h4,6-7,10-11,19H,5,8-9,12-17H2,1-3H3;1H/q+1;/p-1/t21-;/m0./s1