methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[7-(1,3-thiazol-3-ium-3-yl)heptyl]carbamate

Systemtic Name: methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[7-(1,3-thiazol-3-ium-3-yl)heptyl]carbamate Openeye Name: methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-(7-thiazol-3-ium-3-ylheptyl)carbamate CAS Name: N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[7-(3-thiazol-3-iumyl)heptyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[7-(1,3-thiazol-3-ium-3-yl)heptyl]carbamate Traditional Name: N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-(7-thiazol-3-ium-3-ylheptyl)carbamic acid methyl ester Formula: C32H59N2O4S+ MolecularWeight: 567.88686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)N(CCCCCCC[N+]2=CSC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)N(CCCCCCC[N+]2=CSC=C2)C(=O)OC

InChI

InChI=1S/C32H59N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-31-37-28-30(38-31)34(32(35)36-2)25-22-19-16-18-21-24-33-26-27-39-29-33/h26-27,29-31H,3-25,28H2,1-2H3/q+1