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

Systemtic Name: sodium; 1-methanidyladamantane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Openeye Name: sodium; 1-methanidyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one CAS Name: sodium; 1-methanidyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one IUPAC Name: sodium; 1-methanidyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Traditional Name: sodium; 5-keto-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 1-methanidyladamantane Formula: C26H30N2NaO2+ MolecularWeight: 425.51837

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C12CC3CC(C1)CC(C3)C2.C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

[CH2-]C12CC3CC(C1)CC(C3)C2.C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C15H13N2O2.C11H17.Na/c18-14-10-17(19)13-9-5-4-8-12(13)16-15(14)11-6-2-1-3-7-11;1-11-5-8-2-9(6-11)4-10(3-8)7-11;/h1-9,15-16H,10H2;8-10H,1-7H2;/q+1;-1;+1