N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-methyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-methylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-1-methyl-pyridin-1-ium-2-carboxamide iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2C)C(C)(C)C.[I-]

InChI

InChI=1S/C34H54N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-38-32-24-23-29(27-30(32)34(2,3)4)28-35-33(37)31-22-19-20-25-36(31)5;/h19-20,22-25,27H,6-18,21,26,28H2,1-5H3;1H