N-ethanoyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: N-ethanoyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: N-acetyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: N-acetyl-2-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-acetyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: N-acetyl-2-methyl-4-myristyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C33H51IN2O3 MolecularWeight: 650.67411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-25-38-31-21-22-32(28(3)26-31)33(37)35(29(4)36)27-30-20-17-18-24-34(30)23-6-2;/h17-18,20-22,24,26H,5-16,19,23,25,27H2,1-4H3;1H/q+1;/p-1