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

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-37-32-20-19-31(29(3)27-32)28-34-33(36)30-21-24-35(23-5-2)25-22-30;/h19-22,24-25,27H,4-18,23,26,28H2,1-3H3;1H