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

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-dodecoxy-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-lauryloxy-N-[(1-propylpyridin-1-ium-4-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=[N+](C=C2)CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C32H50N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-24-36-30-18-17-28(25-29(30)32(3,4)5)31(35)33-26-27-19-22-34(21-7-2)23-20-27;/h17-20,22-23,25H,6-16,21,24,26H2,1-5H3;1H