4-oxidanylidenepentyl(3-phenylpentan-3-yl)azanium nitrate

Systemtic Name: 4-oxidanylidenepentyl(3-phenylpentan-3-yl)azanium nitrate Openeye Name: (1-ethyl-1-phenyl-propyl)-(4-oxopentyl)ammonium nitrate CAS Name: 4-oxopentyl(3-phenylpentan-3-yl)ammonium nitrate IUPAC Name: 4-oxopentyl(3-phenylpentan-3-yl)azanium nitrate Traditional Name: (1-ethyl-1-phenyl-propyl)-(4-ketopentyl)ammonium nitrate Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1)[NH2+]CCCC(=O)C.[N+](=O)([O-])[O-]

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1)[NH2+]CCCC(=O)C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C16H25NO.NO3/c1-4-16(5-2,15-11-7-6-8-12-15)17-13-9-10-14(3)18;2-1(3)4/h6-8,11-12,17H,4-5,9-10,13H2,1-3H3;/q;-1/p+1