3-[3-(4-chlorophenyl)-3-[(3-methyl-4-oxidanyl-phenyl)amino]propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(4-chlorophenyl)-3-[(3-methyl-4-oxidanyl-phenyl)amino]propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(4-chlorophenyl)-3-(4-hydroxy-3-methyl-anilino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(4-chlorophenyl)-3-(4-hydroxy-3-methylanilino)-1-oxopropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(4-chlorophenyl)-3-(4-hydroxy-3-methylanilino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-(4-chlorophenyl)-3-(4-hydroxy-3-methyl-anilino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C26H24ClN2O4+ MolecularWeight: 463.93276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(CC(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(CC(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H23ClN2O4/c1-15-13-18(11-12-22(15)30)28-20(16-7-9-17(27)10-8-16)14-23(31)24-25(32)19-5-3-4-6-21(19)29(2)26(24)33/h3-13,20,24,28,30H,14H2,1-2H3/p+1