4-dodecoxy-N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-2-methyl-benzamide iodide

Systemtic Name: 4-dodecoxy-N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-2-methyl-benzamide iodide Openeye Name: N-acetyl-4-dodecoxy-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-2-methyl-benzamide iodide CAS Name: N-acetyl-4-dodecoxy-N-[3-(1-ethyl-2-pyridin-1-iumyl)propyl]-2-methylbenzamide iodide IUPAC Name: N-acetyl-4-dodecoxy-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-2-methylbenzamide iodide Traditional Name: N-acetyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-lauryloxy-2-methyl-benzamide iodide Formula: C32H49IN2O3 MolecularWeight: 636.64753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)C.[I-]

InChI

InChI=1S/C32H49N2O3.HI/c1-5-7-8-9-10-11-12-13-14-17-25-37-30-21-22-31(27(3)26-30)32(36)34(28(4)35)24-18-20-29-19-15-16-23-33(29)6-2;/h15-16,19,21-23,26H,5-14,17-18,20,24-25H2,1-4H3;1H/q+1;/p-1