[1-[2-(1-azaniumylethyl)-6-ethyl-3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxidanylidene-chromen-7-yl]oxy-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [1-[2-(1-azaniumylethyl)-6-ethyl-3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxidanylidene-chromen-7-yl]oxy-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [2-[2-(1-azaniumylethyl)-6-ethyl-3-(4-methylthiazol-3-ium-2-yl)-4-oxo-chromen-7-yl]oxy-1-methyl-2-oxo-ethyl]ammonium CAS Name: [1-[[2-(1-ammonioethyl)-6-ethyl-3-(4-methyl-2-thiazol-3-iumyl)-4-oxo-1-benzopyran-7-yl]oxy]-1-oxopropan-2-yl]ammonium IUPAC Name: [1-[2-(1-azaniumylethyl)-6-ethyl-3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl]azanium Traditional Name: [2-[2-(1-ammonioethyl)-6-ethyl-4-keto-3-(4-methylthiazol-3-ium-2-yl)chromen-7-yl]oxy-2-keto-1-methyl-ethyl]ammonium Formula: C20H26N3O4S+3 MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(C)[NH3+])C3=[NH+]C(=CS3)C)OC(=O)C(C)[NH3+]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(C)[NH3+])C3=[NH+]C(=CS3)C)OC(=O)C(C)[NH3+]

InChI

InChI=1S/C20H23N3O4S/c1-5-12-6-13-15(7-14(12)27-20(25)11(4)22)26-18(10(3)21)16(17(13)24)19-23-9(2)8-28-19/h6-8,10-11H,5,21-22H2,1-4H3/p+3