[2-[[2-butyl-4-(1,2-oxazol-2-ium-5-yl)-2H-1,3-thiazol-3-yl]oxymethyl]oxan-3-yl] N-heptadecylcarbamate

Systemtic Name: [2-[[2-butyl-4-(1,2-oxazol-2-ium-5-yl)-2H-1,3-thiazol-3-yl]oxymethyl]oxan-3-yl] N-heptadecylcarbamate Openeye Name: [2-[(2-butyl-4-isoxazol-2-ium-5-yl-2H-thiazol-3-yl)oxymethyl]tetrahydropyran-3-yl] N-heptadecylcarbamate CAS Name: N-heptadecylcarbamic acid [2-[[2-butyl-4-(5-isoxazol-2-iumyl)-2H-thiazol-3-yl]oxymethyl]-3-oxanyl] ester IUPAC Name: [2-[[2-butyl-4-(1,2-oxazol-2-ium-5-yl)-2H-1,3-thiazol-3-yl]oxymethyl]oxan-3-yl] N-heptadecylcarbamate Traditional Name: N-heptadecylcarbamic acid [2-[(2-butyl-4-isoxazol-2-ium-5-yl-4-thiazolin-3-yl)oxymethyl]tetrahydropyran-3-yl] ester Formula: C34H60N3O5S+ MolecularWeight: 622.9223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OC1CCCOC1CON2C(SC=C2C3=CC=[NH+]O3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OC1CCCOC1CON2C(SC=C2C3=CC=[NH+]O3)CCCC

InChI

InChI=1S/C34H59N3O5S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-35-34(38)41-31-21-20-26-39-32(31)27-40-37-29(30-23-25-36-42-30)28-43-33(37)22-6-4-2/h23,25,28,31-33H,3-22,24,26-27H2,1-2H3,(H,35,38)/p+1