(1-oxidanylidene-1-undecoxy-heptan-2-yl)azanium; N-(1-oxidanylidene-1-undecoxy-heptan-2-yl)carbamate

Systemtic Name: (1-oxidanylidene-1-undecoxy-heptan-2-yl)azanium; N-(1-oxidanylidene-1-undecoxy-heptan-2-yl)carbamate Openeye Name: 1-undecoxycarbonylhexylammonium; N-(1-undecoxycarbonylhexyl)carbamate CAS Name: (1-oxo-1-undecoxyheptan-2-yl)ammonium; N-(1-oxo-1-undecoxyheptan-2-yl)carbamate IUPAC Name: (1-oxo-1-undecoxyheptan-2-yl)azanium; N-(1-oxo-1-undecoxyheptan-2-yl)carbamate Traditional Name: 1-undecoxycarbonylhexylammonium; N-(1-undecoxycarbonylhexyl)carbamate Formula: C37H74N2O6 MolecularWeight: 642.99326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C(CCCCC)[NH3+].CCCCCCCCCCCOC(=O)C(CCCCC)NC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCOC(=O)C(CCCCC)[NH3+].CCCCCCCCCCCOC(=O)C(CCCCC)NC(=O)[O-]

InChI

InChI=1S/C19H37NO4.C18H37NO2/c1-3-5-7-8-9-10-11-12-14-16-24-18(21)17(20-19(22)23)15-13-6-4-2;1-3-5-7-8-9-10-11-12-14-16-21-18(20)17(19)15-13-6-4-2/h17,20H,3-16H2,1-2H3,(H,22,23);17H,3-16,19H2,1-2H3