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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-2-chloro-N-[(1-ethylpyridin-1-ium-2-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=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

InChI

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