3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-dodecoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-lauryloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C32H50N2O2.HI/c1-6-8-9-10-11-12-13-14-15-18-24-36-30-21-20-27(25-29(30)32(3,4)5)31(35)33-26-28-19-16-17-23-34(28)22-7-2;/h16-17,19-21,23,25H,6-15,18,22,24,26H2,1-5H3;1H