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

Systemtic Name: 3-chloranyl-4-hexadecoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-benzoyl-3-chloro-4-hexadecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3-chloro-4-hexadecoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3-chloro-4-hexadecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-4-cetyloxy-3-chloro-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C39H54ClIN2O3 MolecularWeight: 761.21513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H54ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-30-45-37-27-26-34(31-36(37)40)39(44)42(38(43)33-23-18-17-19-24-33)32-35-25-20-21-29-41(35)28-4-2;/h17-21,23-27,29,31H,3-16,22,28,30,32H2,1-2H3;1H/q+1;/p-1