[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-(phenylmethyl)azanium chloride

Systemtic Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium chloride CAS Name: [9-(diethylamino)-5-benzo[a]phenoxazinylidene]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium chloride Traditional Name: benzyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium chloride Formula: C27H26ClN3O MolecularWeight: 443.96784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]CC5=CC=CC=C5)C=C3O2.[Cl-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]CC5=CC=CC=C5)C=C3O2.[Cl-]

InChI

InChI=1S/C27H25N3O.ClH/c1-3-30(4-2)20-14-15-23-25(16-20)31-26-17-24(28-18-19-10-6-5-7-11-19)21-12-8-9-13-22(21)27(26)29-23;/h5-17H,3-4,18H2,1-2H3;1H