[7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-azanium ethanoate

Systemtic Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-azanium ethanoate Openeye Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-ammonium acetate CAS Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-3-phenoxazinylidene]-ethyl-methylammonium acetate IUPAC Name: [7-[2-cyanoethyl(ethyl)amino]-2-methylphenoxazin-3-ylidene]-ethyl-methylazanium acetate Traditional Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-ammonium acetate Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC2=C(C=C1)N=C3C=C(C(=[N+](C)CC)C=C3O2)C.CC(=O)[O-]

Isomeric SMILES

CCN(CCC#N)C1=CC2=C(C=C1)N=C3C=C(C(=[N+](C)CC)C=C3O2)C.CC(=O)[O-]

InChI

InChI=1S/C21H25N4O.C2H4O2/c1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;1-2(3)4/h8-9,12-14H,5-7,11H2,1-4H3;1H3,(H,3,4)/q+1;/p-1