methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[6-(1,3-thiazol-3-ium-3-yl)hexyl]carbamate

Systemtic Name: methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[6-(1,3-thiazol-3-ium-3-yl)hexyl]carbamate Openeye Name: methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-(6-thiazol-3-ium-3-ylhexyl)carbamate CAS Name: N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[6-(3-thiazol-3-iumyl)hexyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-[6-(1,3-thiazol-3-ium-3-yl)hexyl]carbamate Traditional Name: N-(2-heptadecyl-1,3-dioxolan-4-yl)-N-(6-thiazol-3-ium-3-ylhexyl)carbamic acid methyl ester Formula: C31H57N2O4S+ MolecularWeight: 553.86028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-36-27-29(37-30)33(31(34)35-2)24-21-18-17-20-23-32-25-26-38-28-32/h25-26,28-30H,3-24,27H2,1-2H3/q+1