N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-N-(phenylcarbonyl)-4-tetradecoxy-benzamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-N-(phenylcarbonyl)-4-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-4-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-methyl-4-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-4-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-4-myristyloxy-benzamide iodide Formula: C37H51IN2O3 MolecularWeight: 698.71691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C37H51N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-21-28-42-34-25-26-35(31(3)29-34)37(41)39(36(40)32-22-17-16-18-23-32)30-33-24-19-20-27-38(33)5-2;/h16-20,22-27,29H,4-15,21,28,30H2,1-3H3;1H/q+1;/p-1