3,7-di(propan-2-yl)phenothiazin-5-ium chloride trihydrate

Systemtic Name: 3,7-di(propan-2-yl)phenothiazin-5-ium chloride trihydrate Openeye Name: 3,7-diisopropylphenothiazin-5-ium chloride trihydrate CAS Name: 3,7-di(propan-2-yl)phenothiazin-5-ium chloride trihydrate IUPAC Name: 3,7-di(propan-2-yl)phenothiazin-5-ium chloride trihydrate Traditional Name: 3,7-diisopropylphenothiazin-5-ium chloride trihydrate Formula: C18H26ClNO3S MolecularWeight: 371.92194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CC3=[S+]2)C(C)C.O.O.O.[Cl-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CC3=[S+]2)C(C)C.O.O.O.[Cl-]

InChI

InChI=1S/C18H20NS.ClH.3H2O/c1-11(2)13-5-7-15-17(9-13)20-18-10-14(12(3)4)6-8-16(18)19-15;;;;/h5-12H,1-4H3;1H;3*1H2/q+1;;;;/p-1