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

Systemtic Name: 2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)-4-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-2-methyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C36H49IN2O3 MolecularWeight: 684.69033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H49N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-20-27-41-33-24-25-34(30(2)28-33)36(40)38(29-32-23-18-19-26-37(32)3)35(39)31-21-16-15-17-22-31;/h15-19,21-26,28H,4-14,20,27,29H2,1-3H3;1H/q+1;/p-1