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

Systemtic Name: (1-hexadecoxy-1-oxidanylidene-heptan-2-yl)azanium; N-(1-hexadecoxy-1-oxidanylidene-heptan-2-yl)carbamate Openeye Name: 1-hexadecoxycarbonylhexylammonium; N-(1-hexadecoxycarbonylhexyl)carbamate CAS Name: (1-hexadecoxy-1-oxoheptan-2-yl)ammonium; N-(1-hexadecoxy-1-oxoheptan-2-yl)carbamate IUPAC Name: (1-hexadecoxy-1-oxoheptan-2-yl)azanium; N-(1-hexadecoxy-1-oxoheptan-2-yl)carbamate Traditional Name: 1-cetyloxycarbonylhexylammonium; N-(1-cetyloxycarbonylhexyl)carbamate Formula: C47H94N2O6 MolecularWeight: 783.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H47NO4.C23H47NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-29-23(26)22(25-24(27)28)20-18-6-4-2;1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-26-23(25)22(24)20-18-6-4-2/h22,25H,3-21H2,1-2H3,(H,27,28);22H,3-21,24H2,1-2H3