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

Systemtic Name: 3-tert-butyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-hexadecoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-cetyloxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C.[I-]

InChI

InChI=1S/C34H54N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-38-32-21-20-30(27-31(32)34(2,3)4)33(37)35-28-29-22-24-36(5)25-23-29;/h20-25,27H,6-19,26,28H2,1-5H3;1H