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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-3-chloro-4-lauryloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C33H42ClIN2O3 MolecularWeight: 677.05565

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42ClN2O3.HI/c1-3-4-5-6-7-8-9-10-11-17-24-39-31-22-21-28(25-30(31)34)33(38)36(26-29-20-15-16-23-35(29)2)32(37)27-18-13-12-14-19-27;/h12-16,18-23,25H,3-11,17,24,26H2,1-2H3;1H/q+1;/p-1