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

Systemtic Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-azanium methanoate Openeye Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-ammonium formate CAS Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-3-phenoxazinylidene]-ethyl-methylammonium formate IUPAC Name: [7-[2-cyanoethyl(ethyl)amino]-2-methylphenoxazin-3-ylidene]-ethyl-methylazanium formate Traditional Name: [7-[2-cyanoethyl(ethyl)amino]-2-methyl-phenoxazin-3-ylidene]-ethyl-methyl-ammonium formate Formula: C22H26N4O3 MolecularWeight: 394.46684

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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.C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N4O.CH2O2/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;2-1-3/h8-9,12-14H,5-7,11H2,1-4H3;1H,(H,2,3)/q+1;/p-1