diethyl-[3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]propyl]ammonium CAS Name: diethyl-[3-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]propyl]azanium Traditional Name: diethyl-[3-[(9,10,10-triketothioxanthene-3-carbonyl)amino]propyl]ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C21H24N2O4S/c1-3-23(4-2)13-7-12-22-21(25)15-10-11-17-19(14-15)28(26,27)18-9-6-5-8-16(18)20(17)24/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3,(H,22,25)/p+1