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

Systemtic Name: 2-[[1-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-diketo-1-p-phenetyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]ethyl-dimethyl-ammonium Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+](C)C)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+](C)C)C(=O)NC2=S

InChI

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