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

Systemtic Name: [5-[6-methoxy-1-(1,3-thiazol-3-ium-3-yl)hexyl]oxolan-3-yl]methyl N-heptadecylcarbamate Openeye Name: [5-(6-methoxy-1-thiazol-3-ium-3-yl-hexyl)tetrahydrofuran-3-yl]methyl N-heptadecylcarbamate CAS Name: N-heptadecylcarbamic acid [5-[6-methoxy-1-(3-thiazol-3-iumyl)hexyl]-3-oxolanyl]methyl ester IUPAC Name: [5-[6-methoxy-1-(1,3-thiazol-3-ium-3-yl)hexyl]oxolan-3-yl]methyl N-heptadecylcarbamate Traditional Name: N-heptadecylcarbamic acid [5-(6-methoxy-1-thiazol-3-ium-3-yl-hexyl)tetrahydrofuran-3-yl]methyl ester Formula: C33H61N2O4S+ MolecularWeight: 581.91344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)C(CCCCCOC)[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)C(CCCCCOC)[N+]2=CSC=C2

InChI

InChI=1S/C33H60N2O4S/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/h23,25,29-32H,3-22,24,26-28H2,1-2H3/p+1