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

Systemtic Name: 3-tert-butyl-4-hexadecoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-benzoyl-3-tert-butyl-4-hexadecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3-tert-butyl-4-hexadecoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3-tert-butyl-4-hexadecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-3-tert-butyl-4-cetyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C43H63IN2O3 MolecularWeight: 782.87639

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C43H63N2O3.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-25-33-48-40-30-29-37(34-39(40)43(3,4)5)42(47)45(41(46)36-26-21-20-22-27-36)35-38-28-23-24-32-44(38)31-7-2;/h20-24,26-30,32,34H,6-19,25,31,33,35H2,1-5H3;1H/q+1;/p-1