(4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: (4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: (4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 2-(aminomethyl)-1-ethyl-3-pyridin-1-iumcarboxylic acid (4-heptadecyl-1,3-dioxolan-2-yl)methyl ester iodide IUPAC Name: (4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)-1-ethylpyridin-1-ium-3-carboxylate iodide Traditional Name: 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylic acid (4-heptadecyl-1,3-dioxolan-2-yl)methyl ester iodide Formula: C30H53IN2O4 MolecularWeight: 632.65729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1COC(O1)COC(=O)C2=C([N+](=CC=C2)CC)CN.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1COC(O1)COC(=O)C2=C([N+](=CC=C2)CC)CN.[I-]

InChI

InChI=1S/C30H53N2O4.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26-24-34-29(36-26)25-35-30(33)27-21-19-22-32(4-2)28(27)23-31;/h19,21-22,26,29H,3-18,20,23-25,31H2,1-2H3;1H/q+1;/p-1