sodium 5-[3,7-bis(dimethylamino)phenothiazin-10-yl]-5-oxidanylidene-pentanoate

Systemtic Name: sodium 5-[3,7-bis(dimethylamino)phenothiazin-10-yl]-5-oxidanylidene-pentanoate Openeye Name: sodium 5-[3,7-bis(dimethylamino)phenothiazin-10-yl]-5-oxo-pentanoate CAS Name: sodium 5-[3,7-bis(dimethylamino)-10-phenothiazinyl]-5-oxopentanoate IUPAC Name: sodium 5-[3,7-bis(dimethylamino)phenothiazin-10-yl]-5-oxopentanoate Traditional Name: sodium 5-[3,7-bis(dimethylamino)phenothiazin-10-yl]-5-keto-valerate Formula: C21H24N3NaO3S MolecularWeight: 421.48833

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)CCCC(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H25N3O3S.Na/c1-22(2)14-8-10-16-18(12-14)28-19-13-15(23(3)4)9-11-17(19)24(16)20(25)6-5-7-21(26)27;/h8-13H,5-7H2,1-4H3,(H,26,27);/q;+1/p-1