[6,9-bis(azanyl)-2-ethoxy-acridin-1-yl]azanium sulfate

Systemtic Name: [6,9-bis(azanyl)-2-ethoxy-acridin-1-yl]azanium sulfate Openeye Name: (6,9-diamino-2-ethoxy-acridin-1-yl)ammonium sulfate CAS Name: (6,9-diamino-2-ethoxy-1-acridinyl)ammonium sulfate IUPAC Name: (6,9-diamino-2-ethoxyacridin-1-yl)azanium sulfate Traditional Name: (6,9-diamino-2-ethoxy-acridin-1-yl)ammonium sulfate Formula: C30H34N8O6S MolecularWeight: 634.70596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N)[NH3+].CCOC1=C(C2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N)[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=C(C2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N)[NH3+].CCOC1=C(C2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N)[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H16N4O.H2O4S/c2*1-2-20-12-6-5-10-13(15(12)18)14(17)9-4-3-8(16)7-11(9)19-10;1-5(2,3)4/h2*3-7H,2,16,18H2,1H3,(H2,17,19);(H2,1,2,3,4)