(1-oxidanylidene-1-pentoxy-octan-2-yl)azanium; N-(1-oxidanylidene-1-pentoxy-octan-2-yl)carbamate

Systemtic Name: (1-oxidanylidene-1-pentoxy-octan-2-yl)azanium; N-(1-oxidanylidene-1-pentoxy-octan-2-yl)carbamate Openeye Name: 1-pentoxycarbonylheptylammonium; N-(1-pentoxycarbonylheptyl)carbamate CAS Name: (1-oxo-1-pentoxyoctan-2-yl)ammonium; N-(1-oxo-1-pentoxyoctan-2-yl)carbamate IUPAC Name: (1-oxo-1-pentoxyoctan-2-yl)azanium; N-(1-oxo-1-pentoxyoctan-2-yl)carbamate Traditional Name: 1-amoxycarbonylheptylammonium; N-(1-amoxycarbonylheptyl)carbamate Formula: C27H54N2O6 MolecularWeight: 502.72746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCCCCC)[NH3+].CCCCCCC(C(=O)OCCCCC)NC(=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)OCCCCC)[NH3+].CCCCCCC(C(=O)OCCCCC)NC(=O)[O-]

InChI

InChI=1S/C14H27NO4.C13H27NO2/c1-3-5-7-8-10-12(15-14(17)18)13(16)19-11-9-6-4-2;1-3-5-7-8-10-12(14)13(15)16-11-9-6-4-2/h12,15H,3-11H2,1-2H3,(H,17,18);12H,3-11,14H2,1-2H3