[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-ethyl-azanium sulfate

Systemtic Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-ethyl-azanium sulfate Openeye Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-ethyl-ammonium sulfate CAS Name: [9-(diethylamino)-5-benzo[a]phenoxazinylidene]-ethylammonium sulfate IUPAC Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-ethylazanium sulfate Traditional Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-ethyl-ammonium sulfate Formula: C44H48N6O6S MolecularWeight: 788.95352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41.CC[NH+]=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+]=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41.CC[NH+]=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C22H23N3O.H2O4S/c2*1-4-23-19-14-21-22(17-10-8-7-9-16(17)19)24-18-12-11-15(13-20(18)26-21)25(5-2)6-3;1-5(2,3)4/h2*7-14H,4-6H2,1-3H3;(H2,1,2,3,4)