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

Systemtic Name: 3-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide iodide CAS Name: N-benzoyl-3-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxybenzamide iodide IUPAC Name: N-benzoyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxybenzamide iodide Traditional Name: N-benzoyl-4-cetyloxy-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C38H52ClIN2O3 MolecularWeight: 747.18855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H52ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-29-44-36-27-26-33(30-35(36)39)38(43)41(37(42)32-23-18-17-19-24-32)31-34-25-20-21-28-40(34)4-2;/h17-21,23-28,30H,3-16,22,29,31H2,1-2H3;1H/q+1;/p-1