N9,N9-diethyl-2-iodanyl-12bH-benzo[a]phenoxazin-12-ium-5,9-diamine chloride

Systemtic Name: N9,N9-diethyl-2-iodanyl-12bH-benzo[a]phenoxazin-12-ium-5,9-diamine chloride Openeye Name: N9,N9-diethyl-2-iodo-12bH-benzo[a]phenoxazin-12-ium-5,9-diamine chloride CAS Name: N9,N9-diethyl-2-iodo-12bH-benzo[a]phenoxazin-12-ium-5,9-diamine chloride IUPAC Name: 9-N,9-N-diethyl-2-iodo-12bH-benzo[a]phenoxazin-12-ium-5,9-diamine chloride Traditional Name: (5-amino-2-iodo-12bH-benzo[a]phenoxazin-12-ium-9-yl)-diethyl-amine chloride Formula: C20H21ClIN3O MolecularWeight: 481.75771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)[NH+]=C3C4C=C(C=CC4=C(C=C3O2)N)I.[Cl-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)[NH+]=C3C4C=C(C=CC4=C(C=C3O2)N)I.[Cl-]

InChI

InChI=1S/C20H20IN3O.ClH/c1-3-24(4-2)13-6-8-17-18(10-13)25-19-11-16(22)14-7-5-12(21)9-15(14)20(19)23-17;/h5-11,15H,3-4,22H2,1-2H3;1H