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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-methoxy-benzamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-methoxy-benzamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-2-methoxybenzamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-methoxybenzamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(4-lauryloxy-2-methyl-benzyl)-2-methoxy-benzamide iodide Formula: C36H51IN2O3 MolecularWeight: 686.70621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3OC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3OC)C.[I-]

InChI

InChI=1S/C36H51N2O3.HI/c1-5-7-8-9-10-11-12-13-14-17-26-41-33-21-20-32(30(3)27-33)29-38(28-31-22-24-37(6-2)25-23-31)36(39)34-18-15-16-19-35(34)40-4;/h15-16,18-25,27H,5-14,17,26,28-29H2,1-4H3;1H/q+1;/p-1