(7-butanoyloxy-1-methyl-4-methylsulfanyl-quinazolin-1-ium-6-yl) butanoate

Systemtic Name: (7-butanoyloxy-1-methyl-4-methylsulfanyl-quinazolin-1-ium-6-yl) butanoate Openeye Name: (7-butanoyloxy-1-methyl-4-methylsulfanyl-quinazolin-1-ium-6-yl) butanoate CAS Name: butanoic acid [1-methyl-4-(methylthio)-7-(1-oxobutoxy)-6-quinazolin-1-iumyl] ester IUPAC Name: (7-butanoyloxy-1-methyl-4-methylsulfanylquinazolin-1-ium-6-yl) butanoate Traditional Name: butyric acid [7-butyryloxy-1-methyl-4-(methylthio)quinazolin-1-ium-6-yl] ester Formula: C18H23N2O4S+ MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C2C(=C1)C(=NC=[N+]2C)SC)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=C(C=C2C(=C1)C(=NC=[N+]2C)SC)OC(=O)CCC

InChI

InChI=1S/C18H23N2O4S/c1-5-7-16(21)23-14-9-12-13(20(3)11-19-18(12)25-4)10-15(14)24-17(22)8-6-2/h9-11H,5-8H2,1-4H3/q+1