[7-(azaniumylidenemethyl)-2-(dimethylamino)-9,9-dimethyl-7H-anthracen-1-yl]methylideneazanium dinitrate

Systemtic Name: [7-(azaniumylidenemethyl)-2-(dimethylamino)-9,9-dimethyl-7H-anthracen-1-yl]methylideneazanium dinitrate Openeye Name: [7-(azaniumylidenemethyl)-2-(dimethylamino)-9,9-dimethyl-7H-anthracen-1-yl]methyleneammonium dinitrate CAS Name: [2-(dimethylamino)-7-(iminiomethyl)-9,9-dimethyl-7H-anthracen-1-yl]methylideneammonium dinitrate IUPAC Name: [7-(azaniumylidenemethyl)-2-(dimethylamino)-9,9-dimethyl-7H-anthracen-1-yl]methylideneazanium dinitrate Traditional Name: [2-(dimethylamino)-7-(iminiomethyl)-9,9-dimethyl-7H-anthracen-1-yl]methyleneammonium dinitrate Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(C=CC2=CC3=C1C(=C(C=C3)N(C)C)C=[NH2+])C=[NH2+])C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC1(C2=CC(C=CC2=CC3=C1C(=C(C=C3)N(C)C)C=[NH2+])C=[NH2+])C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C20H23N3.2NO3/c1-20(2)17-9-13(11-21)5-6-14(17)10-15-7-8-18(23(3)4)16(12-22)19(15)20;2*2-1(3)4/h5-13,21-22H,1-4H3;;/q;2*-1/p+2