2-[2-oxidanylidene-2-[2,2,6-trimethyl-1-(methylamino)-3-phenylmethoxy-quinolin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[2,2,6-trimethyl-1-(methylamino)-3-phenylmethoxy-quinolin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-benzyloxy-2,2,6-trimethyl-1-(methylamino)quinolin-1-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[2,2,6-trimethyl-1-(methylamino)-3-phenylmethoxy-1-quinolin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[2,2,6-trimethyl-1-(methylamino)-3-phenylmethoxyquinolin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-benzoxy-2,2,6-trimethyl-1-(methylamino)quinolin-1-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C30H30N3O4+ MolecularWeight: 496.5769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(C(=C2)OCC3=CC=CC=C3)(C)C)(C(=O)CN4C(=O)C5=CC=CC=C5C4=O)NC

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(C(=C2)OCC3=CC=CC=C3)(C)C)(C(=O)CN4C(=O)C5=CC=CC=C5C4=O)NC

InChI

InChI=1S/C30H30N3O4/c1-20-14-15-25-22(16-20)17-26(37-19-21-10-6-5-7-11-21)30(2,3)33(25,31-4)27(34)18-32-28(35)23-12-8-9-13-24(23)29(32)36/h5-17,31H,18-19H2,1-4H3/q+1