ethyl 3-[3-methyl-7-(methylamino)-1-oxidanyl-4-oxidanylidene-3-phenyl-2H-quinazolin-3-ium-2-yl]propanoate

Systemtic Name: ethyl 3-[3-methyl-7-(methylamino)-1-oxidanyl-4-oxidanylidene-3-phenyl-2H-quinazolin-3-ium-2-yl]propanoate Openeye Name: ethyl 3-[1-hydroxy-3-methyl-7-(methylamino)-4-oxo-3-phenyl-2H-quinazolin-3-ium-2-yl]propanoate CAS Name: 3-[1-hydroxy-3-methyl-7-(methylamino)-4-oxo-3-phenyl-2H-quinazolin-3-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-hydroxy-3-methyl-7-(methylamino)-4-oxo-3-phenyl-2H-quinazolin-3-ium-2-yl]propanoate Traditional Name: 3-[1-hydroxy-4-keto-3-methyl-7-(methylamino)-3-phenyl-2H-quinazolin-3-ium-2-yl]propionic acid ethyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1N(C2=C(C=CC(=C2)NC)C(=O)[N+]1(C)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)CCC1N(C2=C(C=CC(=C2)NC)C(=O)[N+]1(C)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25N3O4/c1-4-28-20(25)13-12-19-23(27)18-14-15(22-2)10-11-17(18)21(26)24(19,3)16-8-6-5-7-9-16/h5-11,14,19,27H,4,12-13H2,1-3H3/p+1