zinc (E)-ethyl-[7-(ethylamino)-2,8-dimethyl-phenothiazin-3-ylidene]azanium tetrachloride

Systemtic Name: zinc (E)-ethyl-[7-(ethylamino)-2,8-dimethyl-phenothiazin-3-ylidene]azanium tetrachloride Openeye Name: zinc (E)-ethyl-[7-(ethylamino)-2,8-dimethyl-phenothiazin-3-ylidene]ammonium tetrachloride CAS Name: zinc (E)-ethyl-[7-(ethylamino)-2,8-dimethyl-3-phenothiazinylidene]ammonium tetrachloride IUPAC Name: zinc (E)-ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium tetrachloride Traditional Name: zinc (E)-ethyl-[7-(ethylamino)-2,8-dimethyl-phenothiazin-3-ylidene]ammonium tetrachloride Formula: C36H44Cl4N6S2Zn MolecularWeight: 832.12576

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CCNC1=CC2=C(N=C3C(=C/C(=[NH+]\CC)/C(=C3)C)S2)C=C1C.CCNC1=CC2=C(N=C3C(=C/C(=[NH+]\CC)/C(=C3)C)S2)C=C1C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C18H21N3S.4ClH.Zn/c2*1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;;;;;/h2*7-10,19H,5-6H2,1-4H3;4*1H;/q;;;;;;+2/p-2/b2*20-14+;;;;;