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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C31H48ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-23-36-31-21-20-28(24-30(31)32)25-34(27(3)35)26-29-19-16-17-22-33(29)5-2;/h16-17,19-22,24H,4-15,18,23,25-26H2,1-3H3;1H/q+1;/p-1