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

Systemtic Name: N-[1-(4-hexadecoxy-2-methyl-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(4-hexadecoxy-2-methyl-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(4-hexadecoxy-2-methylphenyl)ethyl]-1-methyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-hexadecoxy-2-methylphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-2-methyl-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2C)C.[I-]

InChI

InChI=1S/C32H50N2O2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36-29-22-23-30(27(2)26-29)28(3)33-32(35)31-21-18-19-24-34(31)4;/h18-19,21-24,26,28H,5-17,20,25H2,1-4H3;1H