[benzotriazol-1-yl-(phenylcarbamoylamino)methylidene]-bis(phenylmethyl)azanium

Systemtic Name: [benzotriazol-1-yl-(phenylcarbamoylamino)methylidene]-bis(phenylmethyl)azanium Openeye Name: [benzotriazol-1-yl-(phenylcarbamoylamino)methylene]-dibenzyl-ammonium CAS Name: [[[anilino(oxo)methyl]amino]-(1-benzotriazolyl)methylidene]-bis(phenylmethyl)ammonium IUPAC Name: [benzotriazol-1-yl-(phenylcarbamoylamino)methylidene]-dibenzylazanium Traditional Name: [benzotriazol-1-yl-(phenylcarbamoylamino)methylene]-dibenzyl-ammonium Formula: C28H25N6O+ MolecularWeight: 461.5377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](=C(NC(=O)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+](=C(NC(=O)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3)CC5=CC=CC=C5

InChI

InChI=1S/C28H24N6O/c35-27(29-24-16-8-3-9-17-24)30-28(34-26-19-11-10-18-25(26)31-32-34)33(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h1-19H,20-21H2,(H,29,35)/p+1