3-[4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl]-1,3-thiazol-3-ium iodide

Systemtic Name: 3-[4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl]-1,3-thiazol-3-ium iodide Openeye Name: 3-[4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl]thiazol-3-ium iodide CAS Name: 3-[4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl]thiazol-3-ium iodide IUPAC Name: 3-[4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl]-1,3-thiazol-3-ium iodide Traditional Name: 3-[4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl]thiazol-3-ium iodide Formula: C28H52INO3S MolecularWeight: 609.68685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCC[N+]2=CSC=C2.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCC[N+]2=CSC=C2.[I-]

InChI

InChI=1S/C28H52NO3S.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-31-25-27(32-28)24-30-22-18-17-20-29-21-23-33-26-29;/h21,23,26-28H,2-20,22,24-25H2,1H3;1H/q+1;/p-1