[7-(diethylamino)phenoxazin-3-ylidene]-diethyl-azanium; methanesulfonate

Systemtic Name: [7-(diethylamino)phenoxazin-3-ylidene]-diethyl-azanium; methanesulfonate Openeye Name: [7-(diethylamino)phenoxazin-3-ylidene]-diethyl-ammonium; methanesulfonate CAS Name: [7-(diethylamino)-3-phenoxazinylidene]-diethylammonium; methanesulfonate IUPAC Name: [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium; methanesulfonate Traditional Name: [7-(diethylamino)phenoxazin-3-ylidene]-diethyl-ammonium mesylate Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.CS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H26N3O.CH4O3S/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-5(2,3)4/h9-14H,5-8H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1