N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethyl-N-phenyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Formula: C41H61IN2O2 MolecularWeight: 740.83971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H61N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-32-45-39-27-26-35(33-38(39)41(3,4)5)34-43(37-24-21-20-22-25-37)40(44)36-28-30-42(7-2)31-29-36;/h20-22,24-31,33H,6-19,23,32,34H2,1-5H3;1H/q+1;/p-1