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

Systemtic Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-(1,3-thiazol-3-ium-3-yl)butanoate Openeye Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-thiazol-3-ium-3-ylbutanoate CAS Name: 4-(3-thiazol-3-iumyl)butanoic acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-2-methyl-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-2-methyl-1,3-dioxolan-4-yl)methyl ester Formula: C29H52NO4S+ MolecularWeight: 510.79248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCC[N+]2=CSC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCC[N+]2=CSC=C2)C

InChI

InChI=1S/C29H52NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(2)33-25-27(34-29)24-32-28(31)19-18-21-30-22-23-35-26-30/h22-23,26-27H,3-21,24-25H2,1-2H3/q+1