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

Systemtic Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-azanium chloride Openeye Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-ammonium chloride CAS Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-3-phenoxazinylidene]-ethyl-methylammonium chloride IUPAC Name: [7-[2-cyanoethyl(ethyl)amino]-2-methylphenoxazin-3-ylidene]-ethyl-methylazanium chloride Traditional Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-ammonium chloride Formula: C21H25ClN4O MolecularWeight: 384.9024

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N4O.ClH/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;/h8-9,12-14H,5-7,11H2,1-4H3;1H/q+1;/p-1