3-dodecoxy-2-methyl-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: 3-dodecoxy-2-methyl-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-benzoyl-3-dodecoxy-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3-dodecoxy-2-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3-dodecoxy-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-3-lauryloxy-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C36H49IN2O3 MolecularWeight: 684.69033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C36H49N2O3.HI/c1-4-6-7-8-9-10-11-12-13-19-28-41-34-25-20-24-33(30(34)3)36(40)38(35(39)31-21-15-14-16-22-31)29-32-23-17-18-27-37(32)26-5-2;/h14-18,20-25,27H,4-13,19,26,28-29H2,1-3H3;1H/q+1;/p-1