1,3-benzodioxol-5-yl-(5-phenethylpyrrolidin-2-yl)methanol; sulfuric acid

Systemtic Name: 1,3-benzodioxol-5-yl-(5-phenethylpyrrolidin-2-yl)methanol; sulfuric acid Openeye Name: 1,3-benzodioxol-5-yl-(5-phenethylpyrrolidin-2-yl)methanol; sulfuric acid CAS Name: 1,3-benzodioxol-5-yl-(5-phenethyl-2-pyrrolidinyl)methanol; sulfuric acid IUPAC Name: 1,3-benzodioxol-5-yl-(5-phenethylpyrrolidin-2-yl)methanol; sulfuric acid Traditional Name: 1,3-benzodioxol-5-yl-(5-phenethylpyrrolidin-2-yl)methanol; sulfuric acid Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1CCC2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)O.OS(=O)(=O)O

Isomeric SMILES

C1CC(NC1CCC2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)O.OS(=O)(=O)O

InChI

InChI=1S/C20H23NO3.H2O4S/c22-20(15-7-11-18-19(12-15)24-13-23-18)17-10-9-16(21-17)8-6-14-4-2-1-3-5-14;1-5(2,3)4/h1-5,7,11-12,16-17,20-22H,6,8-10,13H2;(H2,1,2,3,4)