3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)ethanoate iodide

Systemtic Name: 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)ethanoate iodide Openeye Name: 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)acetate iodide CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)acetic acid 3-phenylpropyl ester iodide IUPAC Name: 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)acetate iodide Traditional Name: 2-(1-methylpiperidin-1-ium-1-yl)acetic acid 3-phenylpropyl ester iodide Formula: C17H26INO2 MolecularWeight: 403.29831

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC(=O)OCCCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC(=O)OCCCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H26NO2.HI/c1-18(12-6-3-7-13-18)15-17(19)20-14-8-11-16-9-4-2-5-10-16;/h2,4-5,9-10H,3,6-8,11-15H2,1H3;1H/q+1;/p-1