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

Systemtic Name: 3-[[1-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[4,6-diketo-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C17H23N4O3S+ MolecularWeight: 363.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-20(2)10-4-9-18-11-14-15(22)19-17(25)21(16(14)23)12-5-7-13(24-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,22,25)/p+1