N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-methyl-N-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Formula: C36H51IN2O2 MolecularWeight: 670.70681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C(C)(C)C.[I-]

InChI

InChI=1S/C36H51N2O2.HI/c1-6-7-8-9-10-11-12-13-14-20-27-40-34-25-24-30(28-32(34)36(2,3)4)29-38(31-21-16-15-17-22-31)35(39)33-23-18-19-26-37(33)5;/h15-19,21-26,28H,6-14,20,27,29H2,1-5H3;1H/q+1;/p-1