dimethyl (5Z)-2,2-dimethyl-4-propan-2-ylidene-1,3-dihydro-2-benzazocin-2-ium-5,6-dicarboxylate hexafluorophosphate

Systemtic Name: dimethyl (5Z)-2,2-dimethyl-4-propan-2-ylidene-1,3-dihydro-2-benzazocin-2-ium-5,6-dicarboxylate hexafluorophosphate Openeye Name: dimethyl (5Z)-4-isopropylidene-2,2-dimethyl-1,3-dihydro-2-benzazocin-2-ium-5,6-dicarboxylate hexafluorophosphate CAS Name: (5Z)-2,2-dimethyl-4-propan-2-ylidene-1,3-dihydro-2-benzazocin-2-ium-5,6-dicarboxylic acid dimethyl ester hexafluorophosphate IUPAC Name: dimethyl (5Z)-2,2-dimethyl-4-propan-2-ylidene-1,3-dihydro-2-benzazocin-2-ium-5,6-dicarboxylate hexafluorophosphate Traditional Name: (5Z)-4-isopropylidene-2,2-dimethyl-1,3-dihydro-2-benzazocin-2-ium-5,6-dicarboxylic acid dimethyl ester hexafluorophosphate Formula: C20H26F6NO4P MolecularWeight: 489.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C[N+](CC2=CC=CC=C2C(=C1C(=O)OC)C(=O)OC)(C)C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(=C/1C[N+](CC2=CC=CC=C2/C(=C1/C(=O)OC)/C(=O)OC)(C)C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C20H26NO4.F6P/c1-13(2)16-12-21(3,4)11-14-9-7-8-10-15(14)17(19(22)24-5)18(16)20(23)25-6;1-7(2,3,4,5)6/h7-10H,11-12H2,1-6H3;/q+1;-1/b18-17-;