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

Systemtic Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(3-tert-butyl-4-lauryloxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C33H52N2O2.HI/c1-7-9-10-11-12-13-14-15-16-19-25-37-31-22-21-28(26-29(31)33(4,5)6)27(3)34-32(36)30-20-17-18-24-35(30)23-8-2;/h17-18,20-22,24,26-27H,7-16,19,23,25H2,1-6H3;1H