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

Systemtic Name: 2-carboxyethyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium chloride Openeye Name: 2-carboxyethyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium chloride CAS Name: 2-carboxyethyl-[9-(diethylamino)-5-benzo[a]phenoxazinylidene]ammonium chloride IUPAC Name: 2-carboxyethyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium chloride Traditional Name: 2-carboxyethyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium chloride Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3.ClH/c1-3-26(4-2)15-9-10-18-20(13-15)29-21-14-19(24-12-11-22(27)28)16-7-5-6-8-17(16)23(21)25-18;/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,28);1H