ethyl 4-[7-(dimethylamino)-1-oxidanylidene-phenoxazin-10-ium-3-yl]piperazine-1-carboxylate chloride

Systemtic Name: ethyl 4-[7-(dimethylamino)-1-oxidanylidene-phenoxazin-10-ium-3-yl]piperazine-1-carboxylate chloride Openeye Name: ethyl 4-[7-(dimethylamino)-1-oxo-phenoxazin-10-ium-3-yl]piperazine-1-carboxylate chloride CAS Name: 4-[7-(dimethylamino)-1-oxo-3-phenoxazin-10-iumyl]-1-piperazinecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[7-(dimethylamino)-1-oxophenoxazin-10-ium-3-yl]piperazine-1-carboxylate chloride Traditional Name: 4-[7-(dimethylamino)-1-keto-phenoxazin-10-ium-3-yl]piperazine-1-carboxylic acid ethyl ester chloride Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=O)C3=[NH+]C4=C(C=C(C=C4)N(C)C)OC3=C2.[Cl-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=O)C3=[NH+]C4=C(C=C(C=C4)N(C)C)OC3=C2.[Cl-]

InChI

InChI=1S/C21H24N4O4.ClH/c1-4-28-21(27)25-9-7-24(8-10-25)15-11-17(26)20-19(13-15)29-18-12-14(23(2)3)5-6-16(18)22-20;/h5-6,11-13H,4,7-10H2,1-3H3;1H