N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(4-hexadecoxy-3-methoxyphenyl)propyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-hexadecoxy-3-methoxyphenyl)propyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-3-methoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Formula: C33H53IN2O3 MolecularWeight: 652.68999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-38-31-21-20-29(27-32(31)37-4)30(6-2)34-33(36)28-22-24-35(3)25-23-28;/h20-25,27,30H,5-19,26H2,1-4H3;1H