zinc 3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride

Systemtic Name: zinc 3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride Openeye Name: zinc 3-[2-[4-(diethylamino)phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride CAS Name: zinc 3-[2-[4-(diethylamino)phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride IUPAC Name: zinc 3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride Traditional Name: zinc 3-[2-[4-(diethylamino)phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propionamide tetrachloride Formula: C44H56Cl4N10O4S2Zn MolecularWeight: 1060.33104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C22H27N5O2S.4ClH.Zn/c2*1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;;;;;/h2*7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);4*1H;/q;;;;;;+2/p-2