N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(2-methoxy-4-tetradecoxy-phenyl)ethanamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(2-methoxy-4-tetradecoxy-phenyl)ethanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(2-methoxy-4-tetradecoxy-phenyl)acetamide iodide CAS Name: N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-2-(2-methoxy-4-tetradecoxyphenyl)acetamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(2-methoxy-4-tetradecoxyphenyl)acetamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-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=C[N+](=CC=C2)CC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)OC.[I-]

InChI

InChI=1S/C31H48N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-22-36-29-20-19-28(30(24-29)35-3)23-31(34)32-25-27-18-17-21-33(5-2)26-27;/h17-21,24,26H,4-16,22-23,25H2,1-3H3;1H