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

Systemtic Name: 3-chloranyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-3-chloro-4-hexadecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3-chloro-4-hexadecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3-chloro-4-hexadecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-4-cetyloxy-3-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C37H50ClIN2O3 MolecularWeight: 733.16197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)Cl.[I-]

InChI

InChI=1S/C37H50ClN2O3.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-28-43-35-26-25-32(29-34(35)38)37(42)40(30-33-24-19-20-27-39(33)2)36(41)31-22-17-16-18-23-31;/h16-20,22-27,29H,3-15,21,28,30H2,1-2H3;1H/q+1;/p-1