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

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C38H55IN2O3 MolecularWeight: 714.75937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3)OC.[I-]

InChI

InChI=1S/C38H55N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-43-36-24-23-34(30-37(36)42-3)32-40(31-33-25-27-39(2)28-26-33)38(41)35-21-18-17-19-22-35;/h17-19,21-28,30H,4-16,20,29,31-32H2,1-3H3;1H/q+1;/p-1