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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-2-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C35H49IN2O4 MolecularWeight: 688.67903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)OC.[I-]

InChI

InChI=1S/C35H49N2O4.HI/c1-5-6-7-8-9-10-11-12-13-18-25-41-33-23-22-29(26-34(33)40-4)27-37(28-30-19-16-17-24-36(30)2)35(38)31-20-14-15-21-32(31)39-3;/h14-17,19-24,26H,5-13,18,25,27-28H2,1-4H3;1H/q+1;/p-1