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

Systemtic Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(3-methoxy-4-tetradecoxy-phenyl)ethanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(3-methoxy-4-tetradecoxy-phenyl)acetamide iodide CAS Name: N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-N-(3-methoxy-4-tetradecoxyphenyl)acetamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(3-methoxy-4-tetradecoxyphenyl)acetamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(3-methoxy-4-myristyloxy-phenyl)acetamide iodide Formula: C31H49IN2O3 MolecularWeight: 624.63683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=C[N+](=CC=C2)CC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=C[N+](=CC=C2)CC)C(=O)C)OC.[I-]

InChI

InChI=1S/C31H49N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-23-36-30-21-20-29(24-31(30)35-4)33(27(3)34)26-28-19-18-22-32(6-2)25-28;/h18-22,24-25H,5-17,23,26H2,1-4H3;1H/q+1;/p-1