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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methoxy-4-tetradecoxy-phenyl)ethanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methoxy-4-tetradecoxy-phenyl)acetamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-(2-methoxy-4-tetradecoxyphenyl)acetamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methoxy-4-tetradecoxyphenyl)acetamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methoxy-4-myristyloxy-phenyl)acetamide iodide Formula: C31H49IN2O3 MolecularWeight: 624.63683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)OC.[I-]

InChI

InChI=1S/C31H48N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-23-36-29-21-20-27(30(25-29)35-3)24-31(34)32-26-28-19-16-17-22-33(28)5-2;/h16-17,19-22,25H,4-15,18,23-24,26H2,1-3H3;1H