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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]benzamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]benzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]benzamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C39H57IN2O3 MolecularWeight: 728.78595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H57N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-30-44-37-28-27-34(31-38(37)43-3)32-41(39(42)35-24-19-18-20-25-35)33-36-26-21-22-29-40(36)5-2;/h18-22,24-29,31H,4-17,23,30,32-33H2,1-3H3;1H/q+1;/p-1