sodium 2-[[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylamino]ethanoate

Systemtic Name: sodium 2-[[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylamino]ethanoate Openeye Name: sodium 2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetate CAS Name: sodium 2-[[[3,7-bis(dimethylamino)-10-phenothiazinyl]-oxomethyl]amino]acetate IUPAC Name: sodium 2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetate Traditional Name: sodium 2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetate Formula: C19H21N4NaO3S MolecularWeight: 408.44981

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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)NCC(=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)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H22N4O3S.Na/c1-21(2)12-5-7-14-16(9-12)27-17-10-13(22(3)4)6-8-15(17)23(14)19(26)20-11-18(24)25;/h5-10H,11H2,1-4H3,(H,20,26)(H,24,25);/q;+1/p-1