2-[[4,6-bis(oxidanylidene)-1-phenethyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4,6-bis(oxidanylidene)-1-phenethyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-dioxo-1-phenethyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,6-dioxo-1-phenethyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-dioxo-1-phenethyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-diketo-1-phenethyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl-dimethyl-ammonium Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN=CC1C(=O)NC(=S)N(C1=O)CCC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCN=CC1C(=O)NC(=S)N(C1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O2S/c1-20(2)11-9-18-12-14-15(22)19-17(24)21(16(14)23)10-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,22,24)/p+1