3-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4,6-dioxo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]propyl-dimethyl-ammonium CAS Name: 3-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]propyl-dimethylammonium IUPAC Name: 3-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]propyl-dimethylazanium Traditional Name: 3-[(4,6-diketo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]propyl-dimethyl-ammonium Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC=C1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC=C1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-24(2)15-9-14-23-16-19-20(27)25(17-10-5-3-6-11-17)22(29)26(21(19)28)18-12-7-4-8-13-18/h3-8,10-13,16,23H,9,14-15H2,1-2H3/p+1