1-[(4-hexadecoxy-3-methoxy-phenyl)-methylsulfanyl-methylidene]piperidin-1-ium iodide

Systemtic Name: 1-[(4-hexadecoxy-3-methoxy-phenyl)-methylsulfanyl-methylidene]piperidin-1-ium iodide Openeye Name: 1-[(4-hexadecoxy-3-methoxy-phenyl)-methylsulfanyl-methylene]piperidin-1-ium iodide CAS Name: 1-[(4-hexadecoxy-3-methoxyphenyl)-(methylthio)methylidene]piperidin-1-ium iodide IUPAC Name: 1-[(4-hexadecoxy-3-methoxyphenyl)-methylsulfanylmethylidene]piperidin-1-ium iodide Traditional Name: 1-[(4-cetyloxy-3-methoxy-phenyl)-(methylthio)methylene]piperidin-1-ium iodide Formula: C30H52INO2S MolecularWeight: 617.70885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=[N+]2CCCCC2)SC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=[N+]2CCCCC2)SC)OC.[I-]

InChI

InChI=1S/C30H52NO2S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-28-22-21-27(26-29(28)32-2)30(34-3)31-23-18-17-19-24-31;/h21-22,26H,4-20,23-25H2,1-3H3;1H/q+1;/p-1