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

Systemtic Name: 2-[[1-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-dimethylazanium Traditional Name: 2-[[4,6-diketo-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]ethyl-dimethyl-ammonium Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H20N4O3S/c1-19(2)9-8-17-10-13-14(21)18-16(24)20(15(13)22)11-4-6-12(23-3)7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,18,21,24)/p+1