N-[1-(2-methyl-3-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[1-(2-methyl-3-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(2-methyl-3-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(2-methyl-3-tetradecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(2-methyl-3-tetradecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(2-methyl-3-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=CC(=C1C)C(C)NC(=O)C2=CC=CC=[N+]2CCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)C(C)NC(=O)C2=CC=CC=[N+]2CCC.[I-]

InChI

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