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

Systemtic Name: (1-heptoxy-1-oxidanylidene-heptan-2-yl)azanium; N-(1-heptoxy-1-oxidanylidene-heptan-2-yl)carbamate Openeye Name: 1-heptoxycarbonylhexylammonium; N-(1-heptoxycarbonylhexyl)carbamate CAS Name: (1-heptoxy-1-oxoheptan-2-yl)ammonium; N-(1-heptoxy-1-oxoheptan-2-yl)carbamate IUPAC Name: (1-heptoxy-1-oxoheptan-2-yl)azanium; N-(1-heptoxy-1-oxoheptan-2-yl)carbamate Traditional Name: 1-heptoxycarbonylhexylammonium; N-(1-heptoxycarbonylhexyl)carbamate Formula: C29H58N2O6 MolecularWeight: 530.78062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO4.C14H29NO2/c1-3-5-7-8-10-12-20-14(17)13(16-15(18)19)11-9-6-4-2;1-3-5-7-8-10-12-17-14(16)13(15)11-9-6-4-2/h13,16H,3-12H2,1-2H3,(H,18,19);13H,3-12,15H2,1-2H3