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

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl 6-thiazol-3-ium-3-ylhexanoate CAS Name: 6-(3-thiazol-3-iumyl)hexanoic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C31H56NO4S+ MolecularWeight: 538.84564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2

InChI

InChI=1S/C31H56NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-34-25-29-24-30(35-26-29)27-36-31(33)19-16-15-17-20-32-21-23-37-28-32/h21,23,28-30H,2-20,22,24-27H2,1H3/q+1