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

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

Systemtic Name:1-methyl-1-pyrrolidin-3-yl-xanthene-9-carboxylate sulfate
Openeye Name:1-methyl-1-pyrrolidin-3-yl-xanthene-9-carboxylate sulfate
CAS Name:1-methyl-1-(3-pyrrolidinyl)-9-xanthenecarboxylate sulfate
IUPAC Name:1-methyl-1-pyrrolidin-3-ylxanthene-9-carboxylate sulfate
Traditional Name:1-methyl-1-pyrrolidin-3-yl-xanthene-9-carboxylate sulfate
Formula: C19H18NO7S-3
MolecularWeight: 404.41372
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=C2C1=C(C3=CC=CC=C3O2)C(=O)[O-])C4CCNC4.[O-]S(=O)(=O)[O-]


Isomeric SMILES

CC1(C=CC=C2C1=C(C3=CC=CC=C3O2)C(=O)[O-])C4CCNC4.[O-]S(=O)(=O)[O-]


InChI

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


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