N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C41H61IN2O2 MolecularWeight: 740.83971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

InChI

InChI=1S/C41H61N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30-45-39-28-27-35(31-38(39)41(2,3)4)33-43(34-36-24-23-29-42(5)32-36)40(44)37-25-20-19-21-26-37;/h19-21,23-29,31-32H,6-18,22,30,33-34H2,1-5H3;1H/q+1;/p-1