[2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

Systemtic Name: [2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: [2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methyl 6-thiazol-3-ium-3-ylhexanoate CAS Name: 6-(3-thiazol-3-iumyl)hexanoic acid [2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [2-(cetyloxymethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C30H54NO5S+ MolecularWeight: 540.81846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1OCC(O1)COC(=O)CCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1OCC(O1)COC(=O)CCCCC[N+]2=CSC=C2

InChI

InChI=1S/C30H54NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-33-26-30-35-25-28(36-30)24-34-29(32)19-16-15-17-20-31-21-23-37-27-31/h21,23,27-28,30H,2-20,22,24-26H2,1H3/q+1