3-[3-(2-hydroxyphenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(2-hydroxyphenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[3-(2-hydroxyphenyl)-3-(4-pyridylmethylamino)propanoyl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[3-(2-hydroxyphenyl)-1-oxo-3-(pyridin-4-ylmethylamino)propyl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[3-(2-hydroxyphenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[3-(2-hydroxyphenyl)-3-(4-pyridylmethylamino)propanoyl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C25H24N3O4+ MolecularWeight: 430.47576

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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=CC=C3O)NCC4=CC=NC=C4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CC=C3O)NCC4=CC=NC=C4)O

InChI

InChI=1S/C25H23N3O4/c1-28-20-8-4-2-7-18(20)24(31)23(25(28)32)22(30)14-19(17-6-3-5-9-21(17)29)27-15-16-10-12-26-13-11-16/h2-13,19,23,27,29H,14-15H2,1H3/p+1