[5-[6-methoxy-1-(1,3-thiazol-3-ium-3-yl)hexyl]oxolan-3-yl]methyl N-heptadecylcarbamate; 4-methylbenzenesulfonate

Systemtic Name: [5-[6-methoxy-1-(1,3-thiazol-3-ium-3-yl)hexyl]oxolan-3-yl]methyl N-heptadecylcarbamate; 4-methylbenzenesulfonate Openeye Name: [5-(6-methoxy-1-thiazol-3-ium-3-yl-hexyl)tetrahydrofuran-3-yl]methyl N-heptadecylcarbamate; 4-methylbenzenesulfonate CAS Name: N-heptadecylcarbamic acid [5-[6-methoxy-1-(3-thiazol-3-iumyl)hexyl]-3-oxolanyl]methyl ester; 4-methylbenzenesulfonate IUPAC Name: [5-[6-methoxy-1-(1,3-thiazol-3-ium-3-yl)hexyl]oxolan-3-yl]methyl N-heptadecylcarbamate; 4-methylbenzenesulfonate Traditional Name: N-heptadecylcarbamic acid [5-(6-methoxy-1-thiazol-3-ium-3-yl-hexyl)tetrahydrofuran-3-yl]methyl ester tosylate Formula: C40H68N2O7S2 MolecularWeight: 753.10712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)C(CCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)C(CCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C33H60N2O4S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-33(36)39-28-30-26-32(38-27-30)31(35-23-25-40-29-35)21-18-17-20-24-37-2;1-6-2-4-7(5-3-6)11(8,9)10/h23,25,29-32H,3-22,24,26-28H2,1-2H3;2-5H,1H3,(H,8,9,10)