methyl N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate

Systemtic Name: methyl N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Openeye Name: methyl N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-(5-thiazol-3-ium-3-ylpentyl)carbamate CAS Name: N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-[5-(3-thiazol-3-iumyl)pentyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Traditional Name: N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-(5-thiazol-3-ium-3-ylpentyl)carbamic acid methyl ester Formula: C28H51N2O4S+ MolecularWeight: 511.78054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1OCC(O1)N(CCCCC[N+]2=CSC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC1OCC(O1)N(CCCCC[N+]2=CSC=C2)C(=O)OC

InChI

InChI=1S/C28H51N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-27-33-24-26(34-27)30(28(31)32-2)21-18-15-17-20-29-22-23-35-25-29/h22-23,25-27H,3-21,24H2,1-2H3/q+1