3-tert-butyl-N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: 3-tert-butyl-N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide Openeye Name: N-acetyl-3-tert-butyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide CAS Name: N-acetyl-3-tert-butyl-N-[3-(1-methyl-2-pyridin-1-iumyl)propyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-acetyl-3-tert-butyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxybenzamide iodide Traditional Name: N-acetyl-3-tert-butyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-myristyloxy-benzamide iodide Formula: C36H57IN2O3 MolecularWeight: 692.75385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C36H57N2O3.HI/c1-7-8-9-10-11-12-13-14-15-16-17-20-28-41-34-25-24-31(29-33(34)36(3,4)5)35(40)38(30(2)39)27-21-23-32-22-18-19-26-37(32)6;/h18-19,22,24-26,29H,7-17,20-21,23,27-28H2,1-6H3;1H/q+1;/p-1