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

Systemtic Name: 3-tert-butyl-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide iodide Openeye Name: N-acetyl-3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide iodide CAS Name: N-acetyl-3-tert-butyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxybenzamide iodide IUPAC Name: N-acetyl-3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxybenzamide iodide Traditional Name: N-acetyl-3-tert-butyl-4-cetyloxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C37H59IN2O3 MolecularWeight: 706.78043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H59N2O3.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-23-28-42-35-26-25-32(29-34(35)37(4,5)6)36(41)39(31(3)40)30-33-24-21-22-27-38(33)8-2;/h21-22,24-27,29H,7-20,23,28,30H2,1-6H3;1H/q+1;/p-1