zinc bis(2-cyanoethyl)-[7-(diethylamino)phenoxazin-3-ylidene]azanium tetrachloride

Systemtic Name: zinc bis(2-cyanoethyl)-[7-(diethylamino)phenoxazin-3-ylidene]azanium tetrachloride Openeye Name: zinc bis(2-cyanoethyl)-[7-(diethylamino)phenoxazin-3-ylidene]ammonium tetrachloride CAS Name: zinc bis(2-cyanoethyl)-[7-(diethylamino)-3-phenoxazinylidene]ammonium tetrachloride IUPAC Name: zinc bis(2-cyanoethyl)-[7-(diethylamino)phenoxazin-3-ylidene]azanium tetrachloride Traditional Name: zinc bis(2-cyanoethyl)-[7-(diethylamino)phenoxazin-3-ylidene]ammonium tetrachloride Formula: C44H48Cl4N10O2Zn MolecularWeight: 956.13872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C22H24N5O.4ClH.Zn/c2*1-3-26(4-2)17-7-9-19-21(15-17)28-22-16-18(8-10-20(22)25-19)27(13-5-11-23)14-6-12-24;;;;;/h2*7-10,15-16H,3-6,13-14H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4