N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxyphenyl)carbonyl-2-methyl-benzamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxyphenyl)carbonyl-2-methyl-benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxybenzoyl)-2-methyl-benzamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxy-N-[(2-methoxyphenyl)-oxomethyl]-2-methylbenzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxybenzoyl)-2-methylbenzamide iodide Traditional Name: 4-cetyloxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-N-o-anisoyl-benzamide iodide Formula: C40H57IN2O4 MolecularWeight: 756.79605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)C.[I-]

InChI

InChI=1S/C40H57N2O4.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-23-30-46-35-27-28-36(33(3)31-35)39(43)42(32-34-24-21-22-29-41(34)6-2)40(44)37-25-19-20-26-38(37)45-4;/h19-22,24-29,31H,5-18,23,30,32H2,1-4H3;1H/q+1;/p-1