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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C36H50ClIN2O2 MolecularWeight: 705.15187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3)Cl.[I-]

InChI

InChI=1S/C36H50ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-18-26-41-35-24-23-31(27-34(35)37)29-39(36(40)33-21-16-15-17-22-33)30-32-20-19-25-38(4-2)28-32;/h15-17,19-25,27-28H,3-14,18,26,29-30H2,1-2H3;1H/q+1;/p-1