tert-butyl 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylate iodide

Systemtic Name: tert-butyl 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylate iodide Openeye Name: tert-butyl 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylate iodide CAS Name: 4-(1-methyl-1-pentadecyl-4-piperidin-1-iumyl)-1-piperidinecarboxylic acid tert-butyl ester iodide IUPAC Name: tert-butyl 4-(1-methyl-1-pentadecylpiperidin-1-ium-4-yl)piperidine-1-carboxylate iodide Traditional Name: 4-(1-methyl-1-pentadecyl-piperidin-1-ium-4-yl)piperidine-1-carboxylic acid tert-butyl ester iodide Formula: C31H61IN2O2 MolecularWeight: 620.73271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC[N+]1(CCC(CC1)C2CCN(CC2)C(=O)OC(C)(C)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCC[N+]1(CCC(CC1)C2CCN(CC2)C(=O)OC(C)(C)C)C.[I-]

InChI

InChI=1S/C31H61N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-33(5)26-21-29(22-27-33)28-19-23-32(24-20-28)30(34)35-31(2,3)4;/h28-29H,6-27H2,1-5H3;1H/q+1;/p-1