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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(4-lauryloxy-2-methyl-benzyl)benzamide iodide Formula: C35H49IN2O2 MolecularWeight: 656.68023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C35H49N2O2.HI/c1-4-6-7-8-9-10-11-12-13-17-25-39-34-23-22-33(30(3)26-34)29-37(35(38)32-20-15-14-16-21-32)28-31-19-18-24-36(5-2)27-31;/h14-16,18-24,26-27H,4-13,17,25,28-29H2,1-3H3;1H/q+1;/p-1