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

Systemtic Name: N-[1-(4-hexadecoxy-2-methyl-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(4-hexadecoxy-2-methyl-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(4-hexadecoxy-2-methylphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-hexadecoxy-2-methylphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-2-methyl-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-27-38-31-23-24-32(29(3)28-31)30(4)35-34(37)33-22-19-20-26-36(33)25-6-2;/h19-20,22-24,26,28,30H,5-18,21,25,27H2,1-4H3;1H