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

Systemtic Name: N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-2-methyl-benzamide iodide Openeye Name: N-acetyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-2-methyl-benzamide iodide CAS Name: N-acetyl-N-[3-(1-ethyl-2-pyridin-1-iumyl)propyl]-4-hexadecoxy-2-methylbenzamide iodide IUPAC Name: N-acetyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-2-methylbenzamide iodide Traditional Name: N-acetyl-4-cetyloxy-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-2-methyl-benzamide iodide Formula: C36H57IN2O3 MolecularWeight: 692.75385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)C.[I-]

InChI

InChI=1S/C36H57N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-29-41-34-25-26-35(31(3)30-34)36(40)38(32(4)39)28-22-24-33-23-19-20-27-37(33)6-2;/h19-20,23,25-27,30H,5-18,21-22,24,28-29H2,1-4H3;1H/q+1;/p-1