(2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-(1,3-thiazol-3-ium-3-yl)butanoate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-(1,3-thiazol-3-ium-3-yl)butanoate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-thiazol-3-ium-3-ylbutanoate CAS Name: 4-(3-thiazol-3-iumyl)butanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-(1,3-thiazol-3-ium-3-yl)butanoate Traditional Name: 4-thiazol-3-ium-3-ylbutyric acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C28H50NO4S+ MolecularWeight: 496.7659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCC[N+]2=CSC=C2

InChI

InChI=1S/C28H50NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-32-24-26(33-28)23-31-27(30)18-17-20-29-21-22-34-25-29/h21-22,25-26,28H,2-20,23-24H2,1H3/q+1