sodium; 1-ethyladamantane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one

Systemtic Name: sodium; 1-ethyladamantane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Openeye Name: sodium; 1-ethyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one CAS Name: sodium; 1-ethyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one IUPAC Name: sodium; 1-ethyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Traditional Name: sodium; 1-ethyladamantane; 5-keto-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Formula: C27H32N2NaO2+ MolecularWeight: 439.54495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-]CC12CC3CC(C1)CC(C3)C2.C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

[CH2-]CC12CC3CC(C1)CC(C3)C2.C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C15H13N2O2.C12H19.Na/c18-14-10-17(19)13-9-5-4-8-12(13)16-15(14)11-6-2-1-3-7-11;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;/h1-9,15-16H,10H2;9-11H,1-8H2;/q+1;-1;+1