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

Systemtic Name: methyl N-(3-hexadecoxyoxan-2-yl)-N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Openeye Name: methyl N-(3-hexadecoxytetrahydropyran-2-yl)-N-(5-thiazol-3-ium-3-ylpentyl)carbamate CAS Name: N-(3-hexadecoxy-2-oxanyl)-N-[5-(3-thiazol-3-iumyl)pentyl]carbamic acid methyl ester IUPAC Name: methyl N-(3-hexadecoxyoxan-2-yl)-N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Traditional Name: N-(3-cetyloxytetrahydropyran-2-yl)-N-(5-thiazol-3-ium-3-ylpentyl)carbamic acid methyl ester Formula: C31H57N2O4S+ MolecularWeight: 553.86028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CCCOC1N(CCCCC[N+]2=CSC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1CCCOC1N(CCCCC[N+]2=CSC=C2)C(=O)OC

InChI

InChI=1S/C31H57N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-36-29-21-20-26-37-30(29)33(31(34)35-2)23-18-16-17-22-32-24-27-38-28-32/h24,27-30H,3-23,25-26H2,1-2H3/q+1