1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylate sulfate

Systemtic Name: 1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylate sulfate Openeye Name: 1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylate sulfate CAS Name: 1-methyl-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylate sulfate IUPAC Name: 1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylate sulfate Traditional Name: 1-methyl-3-pyrrolidino-9H-xanthene-9-carboxylate sulfate Formula: C19H18NO7S-3 MolecularWeight: 404.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)[O-])N4CCCC4.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)[O-])N4CCCC4.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H19NO3.H2O4S/c1-12-10-13(20-8-4-5-9-20)11-16-17(12)18(19(21)22)14-6-2-3-7-15(14)23-16;1-5(2,3)4/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3,(H,21,22);(H2,1,2,3,4)/p-3