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

Systemtic Name: methyl N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-[4-(1,3-thiazol-3-ium-3-yl)butyl]carbamate Openeye Name: methyl N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-(4-thiazol-3-ium-3-ylbutyl)carbamate CAS Name: N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-[4-(3-thiazol-3-iumyl)butyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-[4-(1,3-thiazol-3-ium-3-yl)butyl]carbamate Traditional Name: N-(2-pentadecyl-1,3-dioxolan-4-yl)-N-(4-thiazol-3-ium-3-ylbutyl)carbamic acid methyl ester Formula: C27H49N2O4S+ MolecularWeight: 497.75396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-32-23-25(33-26)29(27(30)31-2)20-17-16-19-28-21-22-34-24-28/h21-22,24-26H,3-20,23H2,1-2H3/q+1