3-[3-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(2-hydroxyethylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(2-hydroxyethylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-hydroxyethylamino)propanoyl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-hydroxyethylamino)-1-oxopropyl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-hydroxyethylamino)propanoyl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-hydroxyethylamino)propanoyl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C23H27N2O7+ MolecularWeight: 443.46968

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC(=C(C(=C3)OC)O)OC)NCCO)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC(=C(C(=C3)OC)O)OC)NCCO)O

InChI

InChI=1S/C23H26N2O7/c1-25-16-7-5-4-6-14(16)21(28)20(23(25)30)17(27)12-15(24-8-9-26)13-10-18(31-2)22(29)19(11-13)32-3/h4-7,10-11,15,20,24,26,29H,8-9,12H2,1-3H3/p+1