(2-heptadecyl-1,3-dioxolan-4-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester iodide IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester iodide Formula: C32H55IN2O5 MolecularWeight: 674.69397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C32H55N2O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-37-26-30(39-31)27-38-32(36)34(28(3)35)25-29-22-20-21-24-33(29)5-2;/h20-22,24,30-31H,4-19,23,25-27H2,1-3H3;1H/q+1;/p-1