2-(4-hexadecoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide

Systemtic Name: 2-(4-hexadecoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(4-hexadecoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(4-hexadecoxy-2-methoxyphenyl)-N-[(1-propyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-hexadecoxy-2-methoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C34H55IN2O3 MolecularWeight: 666.71657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)CCC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)CCC)OC.[I-]

InChI

InChI=1S/C34H54N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-39-32-20-19-31(33(28-32)38-3)27-34(37)35-29-30-21-24-36(23-5-2)25-22-30;/h19-22,24-25,28H,4-18,23,26-27,29H2,1-3H3;1H