[3-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methanol sulfate

Systemtic Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methanol sulfate Openeye Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(p-tolyl)pyrrolidin-3-yl]methanol sulfate CAS Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-3-pyrrolidinyl]methanol sulfate IUPAC Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methanol sulfate Traditional Name: [4-(p-tolyl)-3-veratryl-pyrrolidin-3-yl]methanol sulfate Formula: C21H27NO7S-2 MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CNCC2(CC3=CC(=C(C=C3)OC)OC)CO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2CNCC2(CC3=CC(=C(C=C3)OC)OC)CO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H27NO3.H2O4S/c1-15-4-7-17(8-5-15)18-12-22-13-21(18,14-23)11-16-6-9-19(24-2)20(10-16)25-3;1-5(2,3)4/h4-10,18,22-23H,11-14H2,1-3H3;(H2,1,2,3,4)/p-2