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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-methyl-pyridin-1-ium-4-carboxamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-22-34-28-17-16-25(23-27(28)30(2,3)4)24-31-29(33)26-18-20-32(5)21-19-26;/h16-21,23H,6-15,22,24H2,1-5H3;1H