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

Systemtic Name: methyl N-(4-tetradecyloxolan-2-yl)-N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Openeye Name: methyl N-(4-tetradecyltetrahydrofuran-2-yl)-N-(5-thiazol-3-ium-3-ylpentyl)carbamate CAS Name: N-(4-tetradecyl-2-oxolanyl)-N-[5-(3-thiazol-3-iumyl)pentyl]carbamic acid methyl ester IUPAC Name: methyl N-(4-tetradecyloxolan-2-yl)-N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Traditional Name: N-(4-myristyltetrahydrofuran-2-yl)-N-(5-thiazol-3-ium-3-ylpentyl)carbamic acid methyl ester Formula: C28H51N2O3S+ MolecularWeight: 495.78114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)N(CCCCC[N+]2=CSC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)N(CCCCC[N+]2=CSC=C2)C(=O)OC

InChI

InChI=1S/C28H51N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-26-23-27(33-24-26)30(28(31)32-2)20-17-14-16-19-29-21-22-34-25-29/h21-22,25-27H,3-20,23-24H2,1-2H3/q+1