N-[1-(2-methyl-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[1-(2-methyl-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(2-methyl-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(2-methyl-4-tetradecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(2-methyl-4-tetradecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(2-methyl-4-myristyloxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C.[I-]

InChI

InChI=1S/C32H50N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-25-36-29-21-22-30(27(3)26-29)28(4)33-32(35)31-20-17-18-24-34(31)23-6-2;/h17-18,20-22,24,26,28H,5-16,19,23,25H2,1-4H3;1H