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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-chloranyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-chloro-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-2-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C42H62ClIN2O2 MolecularWeight: 789.31135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

InChI

InChI=1S/C42H62ClN2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-22-30-47-40-28-27-35(31-38(40)42(3,4)5)33-45(34-36-24-23-29-44(7-2)32-36)41(46)37-25-20-21-26-39(37)43;/h20-21,23-29,31-32H,6-19,22,30,33-34H2,1-5H3;1H/q+1;/p-1