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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(naphthalen-1-ylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(1-naphthylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(1-naphthalenylamino)-1-oxopropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(naphthalen-1-ylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-3-(1-naphthylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C30H25N2O5+ MolecularWeight: 493.5299

Click to see the large picture

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)NC5=CC=CC6=CC=CC=C65)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC4=C(C=C3)OCO4)NC5=CC=CC6=CC=CC=C65)O

InChI

InChI=1S/C30H24N2O5/c1-32-24-12-5-4-10-21(24)29(34)28(30(32)35)25(33)16-23(19-13-14-26-27(15-19)37-17-36-26)31-22-11-6-8-18-7-2-3-9-20(18)22/h2-15,23,28,31H,16-17H2,1H3/p+1