N-ethanoyl-2-(4-hexadecoxy-2-methyl-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: N-ethanoyl-2-(4-hexadecoxy-2-methyl-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(4-hexadecoxy-2-methyl-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(4-hexadecoxy-2-methylphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(4-hexadecoxy-2-methylphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(4-cetyloxy-2-methyl-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C34H53IN2O4 MolecularWeight: 680.70009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C.[I-]

InChI

InChI=1S/C34H53N2O4.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-39-32-22-23-33(29(2)26-32)40-28-34(38)36(30(3)37)27-31-21-18-19-24-35(31)4;/h18-19,21-24,26H,5-17,20,25,27-28H2,1-4H3;1H/q+1;/p-1