2-azanylpentanedioate; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-azanium

Systemtic Name: 2-azanylpentanedioate; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-azanium Openeye Name: 2-aminopentanedioate; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium CAS Name: 2-aminopentanedioate; [7-(dimethylamino)-3-phenothiazinylidene]-dimethylammonium IUPAC Name: 2-aminopentanedioate; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium Traditional Name: 2-aminoglutarate; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium Formula: C37H43N7O4S2 MolecularWeight: 713.91182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.C(CC(=O)[O-])C(C(=O)[O-])N

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.C(CC(=O)[O-])C(C(=O)[O-])N

InChI

InChI=1S/2C16H18N3S.C5H9NO4/c2*1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;6-3(5(9)10)1-2-4(7)8/h2*5-10H,1-4H3;3H,1-2,6H2,(H,7,8)(H,9,10)/q2*+1;/p-2