3-(1H-imidazol-3-ium-3-yl)-N-phenylmethoxy-2,3-dihydrochromen-4-imine nitrate

Systemtic Name: 3-(1H-imidazol-3-ium-3-yl)-N-phenylmethoxy-2,3-dihydrochromen-4-imine nitrate Openeye Name: N-benzyloxy-3-(1H-imidazol-3-ium-3-yl)chroman-4-imine nitrate CAS Name: 3-(1H-imidazol-3-ium-3-yl)-N-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-imine nitrate IUPAC Name: 3-(1H-imidazol-3-ium-3-yl)-N-phenylmethoxy-2,3-dihydrochromen-4-imine nitrate Traditional Name: (E)-benzoxy-[3-(1H-imidazol-3-ium-3-yl)chroman-4-ylidene]amine nitrate Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NOCC2=CC=CC=C2)C3=CC=CC=C3O1)[N+]4=CNC=C4.[N+](=O)([O-])[O-]

Isomeric SMILES

C1C(/C(=N/OCC2=CC=CC=C2)/C3=CC=CC=C3O1)[N+]4=CNC=C4.[N+](=O)([O-])[O-]

InChI

InChI=1S/C19H17N3O2.NO3/c1-2-6-15(7-3-1)12-24-21-19-16-8-4-5-9-18(16)23-13-17(19)22-11-10-20-14-22;2-1(3)4/h1-11,14,17H,12-13H2;/q;-1/p+1/b21-19+;