3-[3-(1,3-benzodioxol-5-yl)-3-(diphenylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(diphenylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(N-phenylanilino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-1-oxo-3-(N-phenylanilino)propyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(N-phenylanilino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(N-phenylanilino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C32H27N2O5+ MolecularWeight: 519.56718

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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=CC4=C(C=C3)OCO4)N(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC4=C(C=C3)OCO4)N(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C32H26N2O5/c1-33-25-15-9-8-14-24(25)31(36)30(32(33)37)27(35)19-26(21-16-17-28-29(18-21)39-20-38-28)34(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-18,26,30H,19-20H2,1H3/p+1