3-azidopropyl-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]azanium chloride

Systemtic Name: 3-azidopropyl-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]azanium chloride Openeye Name: 3-azidopropyl-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]ammonium chloride CAS Name: 3-azidopropyl-[9-(dimethylamino)-5-benzo[a]phenoxazinylidene]ammonium chloride IUPAC Name: 3-azidopropyl-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]azanium chloride Traditional Name: 3-azidopropyl-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]ammonium chloride Formula: C21H21ClN6O MolecularWeight: 408.88404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]CCCN=[N+]=[N-])C=C3O2.[Cl-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]CCCN=[N+]=[N-])C=C3O2.[Cl-]

InChI

InChI=1S/C21H20N6O.ClH/c1-27(2)14-8-9-17-19(12-14)28-20-13-18(23-10-5-11-24-26-22)15-6-3-4-7-16(15)21(20)25-17;/h3-4,6-9,12-13H,5,10-11H2,1-2H3;1H