1-adamantyloxycarbonyl(pentyl)azanium; N-(1-adamantyloxycarbonyl)-N-pentyl-carbamate

Systemtic Name: 1-adamantyloxycarbonyl(pentyl)azanium; N-(1-adamantyloxycarbonyl)-N-pentyl-carbamate Openeye Name: 1-adamantyloxycarbonyl(pentyl)ammonium; N-(1-adamantyloxycarbonyl)-N-pentyl-carbamate CAS Name: [1-adamantyloxy(oxo)methyl]-pentylammonium; N-[1-adamantyloxy(oxo)methyl]-N-pentylcarbamate IUPAC Name: 1-adamantyloxycarbonyl(pentyl)azanium; N-(1-adamantyloxycarbonyl)-N-pentylcarbamate Traditional Name: 1-adamantyloxycarbonyl(amyl)ammonium; N-(1-adamantyloxycarbonyl)-N-amyl-carbamate Formula: C33H54N2O6 MolecularWeight: 574.79166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]C(=O)OC12CC3CC(C1)CC(C3)C2.CCCCCN(C(=O)[O-])C(=O)OC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCC[NH2+]C(=O)OC12CC3CC(C1)CC(C3)C2.CCCCCN(C(=O)[O-])C(=O)OC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C17H27NO4.C16H27NO2/c1-2-3-4-5-18(15(19)20)16(21)22-17-9-12-6-13(10-17)8-14(7-12)11-17;1-2-3-4-5-17-15(18)19-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,19,20);12-14H,2-11H2,1H3,(H,17,18)