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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(4-lauryloxy-2-methyl-benzyl)acetamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)C.[I-]

InChI

InChI=1S/C30H47N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-21-34-30-19-18-29(26(3)22-30)25-32(27(4)33)24-28-17-16-20-31(6-2)23-28;/h16-20,22-23H,5-15,21,24-25H2,1-4H3;1H/q+1;/p-1