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

Systemtic Name: [2-[3-(2-methyl-1,3-thiazol-3-ium-4-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxy-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[3-(2-methylthiazol-3-ium-4-yl)-4-oxo-6-propyl-chromen-7-yl]oxy-2-oxo-ethyl]ammonium CAS Name: [2-[[3-(2-methyl-4-thiazol-3-iumyl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]-2-oxoethyl]ammonium IUPAC Name: [2-[3-(2-methyl-1,3-thiazol-3-ium-4-yl)-4-oxo-6-propylchromen-7-yl]oxy-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-keto-3-(2-methylthiazol-3-ium-4-yl)-6-propyl-chromen-7-yl]oxy-ethyl]ammonium Formula: C18H20N2O4S+2 MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=[NH+]3)C)OC(=O)C[NH3+]

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=[NH+]3)C)OC(=O)C[NH3+]

InChI

InChI=1S/C18H18N2O4S/c1-3-4-11-5-12-16(6-15(11)24-17(21)7-19)23-8-13(18(12)22)14-9-25-10(2)20-14/h5-6,8-9H,3-4,7,19H2,1-2H3/p+2