(1-hexoxy-1-oxidanylidene-hexan-2-yl)azanium; N-(6-hexoxy-6-oxidanylidene-hexyl)carbamate

Systemtic Name: (1-hexoxy-1-oxidanylidene-hexan-2-yl)azanium; N-(6-hexoxy-6-oxidanylidene-hexyl)carbamate Openeye Name: 1-hexoxycarbonylpentylammonium; N-(6-hexoxy-6-oxo-hexyl)carbamate CAS Name: (1-hexoxy-1-oxohexan-2-yl)ammonium; N-(6-hexoxy-6-oxohexyl)carbamate IUPAC Name: (1-hexoxy-1-oxohexan-2-yl)azanium; N-(6-hexoxy-6-oxohexyl)carbamate Traditional Name: 1-hexoxycarbonylpentylammonium; N-(6-hexoxy-6-keto-hexyl)carbamate Formula: C25H50N2O6 MolecularWeight: 474.6743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCCCNC(=O)[O-].CCCCCCOC(=O)C(CCCC)[NH3+]

Isomeric SMILES

CCCCCCOC(=O)CCCCCNC(=O)[O-].CCCCCCOC(=O)C(CCCC)[NH3+]

InChI

InChI=1S/C13H25NO4.C12H25NO2/c1-2-3-4-8-11-18-12(15)9-6-5-7-10-14-13(16)17;1-3-5-7-8-10-15-12(14)11(13)9-6-4-2/h14H,2-11H2,1H3,(H,16,17);11H,3-10,13H2,1-2H3