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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-lauryloxy-benzamide iodide Formula: C34H44ClIN2O3 MolecularWeight: 691.08223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H44ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-18-25-40-32-23-22-29(26-31(32)35)34(39)37(33(38)28-19-14-13-15-20-28)27-30-21-16-17-24-36(30)4-2;/h13-17,19-24,26H,3-12,18,25,27H2,1-2H3;1H/q+1;/p-1