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

Systemtic Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(4-hexadecoxy-3-methoxy-phenyl)ethanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(4-hexadecoxy-3-methoxy-phenyl)acetamide iodide CAS Name: N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-2-(4-hexadecoxy-3-methoxyphenyl)acetamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(4-hexadecoxy-3-methoxyphenyl)acetamide iodide Traditional Name: 2-(4-cetyloxy-3-methoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C33H53IN2O3 MolecularWeight: 652.68999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-24-38-31-22-21-29(25-32(31)37-3)26-33(36)34-27-30-20-19-23-35(5-2)28-30;/h19-23,25,28H,4-18,24,26-27H2,1-3H3;1H