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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-ethyl-N-phenyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Formula: C37H53IN2O2 MolecularWeight: 684.73339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CC)C(C)(C)C.[I-]

InChI

InChI=1S/C37H53N2O2.HI/c1-6-8-9-10-11-12-13-14-15-19-27-41-35-25-24-31(28-34(35)37(3,4)5)29-39(33-22-17-16-18-23-33)36(40)32-21-20-26-38(7-2)30-32;/h16-18,20-26,28,30H,6-15,19,27,29H2,1-5H3;1H/q+1;/p-1