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

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-acetyl-3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-acetyl-3-tert-butyl-4-dodecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-acetyl-3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-acetyl-3-tert-butyl-4-lauryloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C32H49IN2O3 MolecularWeight: 636.64753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C32H49N2O3.HI/c1-7-8-9-10-11-12-13-14-15-18-23-37-30-21-20-27(24-29(30)32(3,4)5)31(36)34(26(2)35)25-28-19-16-17-22-33(28)6;/h16-17,19-22,24H,7-15,18,23,25H2,1-6H3;1H/q+1;/p-1