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

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-acetyl-3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-acetyl-3-tert-butyl-4-dodecoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-acetyl-3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-acetyl-3-tert-butyl-4-lauryloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C34H53IN2O3 MolecularWeight: 664.70069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C34H53N2O3.HI/c1-7-9-10-11-12-13-14-15-16-19-25-39-32-22-21-29(26-31(32)34(4,5)6)33(38)36(28(3)37)27-30-20-17-18-24-35(30)23-8-2;/h17-18,20-22,24,26H,7-16,19,23,25,27H2,1-6H3;1H/q+1;/p-1