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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(4-lauryloxy-3-methoxy-benzyl)benzamide iodide Formula: C35H49IN2O3 MolecularWeight: 672.67963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3)OC.[I-]

InChI

InChI=1S/C35H49N2O3.HI/c1-4-6-7-8-9-10-11-12-13-17-26-40-33-21-20-31(27-34(33)39-3)29-37(35(38)32-18-15-14-16-19-32)28-30-22-24-36(5-2)25-23-30;/h14-16,18-25,27H,4-13,17,26,28-29H2,1-3H3;1H/q+1;/p-1