[3-(heptadecylcarbamoyloxy)oxan-2-yl]methoxycarbonyl-(2-pentyl-1,3-thiazol-4-yl)azanium

Systemtic Name: [3-(heptadecylcarbamoyloxy)oxan-2-yl]methoxycarbonyl-(2-pentyl-1,3-thiazol-4-yl)azanium Openeye Name: [3-(heptadecylcarbamoyloxy)tetrahydropyran-2-yl]methoxycarbonyl-(2-pentylthiazol-4-yl)ammonium CAS Name: [[3-[(heptadecylamino)-oxomethoxy]-2-oxanyl]methoxy-oxomethyl]-(2-pentyl-4-thiazolyl)ammonium IUPAC Name: [3-(heptadecylcarbamoyloxy)oxan-2-yl]methoxycarbonyl-(2-pentyl-1,3-thiazol-4-yl)azanium Traditional Name: (2-amylthiazol-4-yl)-[[3-(heptadecylcarbamoyloxy)tetrahydropyran-2-yl]methoxycarbonyl]ammonium Formula: C33H60N3O5S+ MolecularWeight: 610.9116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OC1CCCOC1COC(=O)[NH2+]C2=CSC(=N2)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OC1CCCOC1COC(=O)[NH2+]C2=CSC(=N2)CCCCC

InChI

InChI=1S/C33H59N3O5S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-34-32(37)41-28-22-21-25-39-29(28)26-40-33(38)36-30-27-42-31(35-30)23-19-6-4-2/h27-29H,3-26H2,1-2H3,(H,34,37)(H,36,38)/p+1