zinc (7-azanyl-8-methyl-phenoxazin-3-ylidene)-diethyl-azanium tetrachloride

Systemtic Name: zinc (7-azanyl-8-methyl-phenoxazin-3-ylidene)-diethyl-azanium tetrachloride Openeye Name: zinc (7-amino-8-methyl-phenoxazin-3-ylidene)-diethyl-ammonium tetrachloride CAS Name: zinc (7-amino-8-methyl-3-phenoxazinylidene)-diethylammonium tetrachloride IUPAC Name: zinc (7-amino-8-methylphenoxazin-3-ylidene)-diethylazanium tetrachloride Traditional Name: zinc (7-amino-8-methyl-phenoxazin-3-ylidene)-diethyl-ammonium tetrachloride Formula: C34H40Cl4N6O2Zn MolecularWeight: 771.9414

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C=CC2=NC3=C(C=C(C(=C3)C)N)OC2=C1)CC.CC[N+](=C1C=CC2=NC3=C(C=C(C(=C3)C)N)OC2=C1)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CC[N+](=C1C=CC2=NC3=C(C=C(C(=C3)C)N)OC2=C1)CC.CC[N+](=C1C=CC2=NC3=C(C=C(C(=C3)C)N)OC2=C1)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C17H19N3O.4ClH.Zn/c2*1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14;;;;;/h2*6-10,18H,4-5H2,1-3H3;4*1H;/q;;;;;;+2/p-2