4-chloranyl-2-(5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl)phenol

Systemtic Name: 4-chloranyl-2-(5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl)phenol Openeye Name: 4-chloro-2-(5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl)phenol CAS Name: 4-chloro-2-(5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl)phenol IUPAC Name: 4-chloro-2-(5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl)phenol Traditional Name: 4-chloro-2-(5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl)phenol Formula: C17H16ClN2O+ MolecularWeight: 299.77474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C=C(N1)C2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+]=C(C=C(N1)C2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClN2O/c18-13-6-7-17(21)14(10-13)16-11-15(19-8-9-20-16)12-4-2-1-3-5-12/h1-7,10-11,20-21H,8-9H2/p+1