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

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C35H57IN2O3 MolecularWeight: 680.74315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C)OC.[I-]

InChI

InChI=1S/C35H57N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-40-34-23-22-32(27-35(34)39-4)29-37(31(3)38)30-33-21-20-25-36(28-33)24-6-2;/h20-23,25,27-28H,5-19,24,26,29-30H2,1-4H3;1H/q+1;/p-1