3-tert-butyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide iodide

Systemtic Name: 3-tert-butyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-3-tert-butyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3-tert-butyl-4-hexadecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3-tert-butyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-3-tert-butyl-4-cetyloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C41H59IN2O3 MolecularWeight: 754.82323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

InChI

InChI=1S/C41H59N2O3.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24-31-46-38-29-28-35(32-37(38)41(2,3)4)40(45)43(33-36-27-22-23-30-42(36)5)39(44)34-25-20-19-21-26-34;/h19-23,25-30,32H,6-18,24,31,33H2,1-5H3;1H/q+1;/p-1