[3-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol sulfate

Systemtic Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol sulfate Openeye Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol sulfate CAS Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)-3-pyrrolidinyl]methanol sulfate IUPAC Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol sulfate Traditional Name: [4-(2-methoxyphenyl)-3-veratryl-pyrrolidin-3-yl]methanol sulfate Formula: C21H27NO8S-2 MolecularWeight: 453.50598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(CNCC2C3=CC=CC=C3OC)CO)OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(CNCC2C3=CC=CC=C3OC)CO)OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H27NO4.H2O4S/c1-24-18-7-5-4-6-16(18)17-12-22-13-21(17,14-23)11-15-8-9-19(25-2)20(10-15)26-3;1-5(2,3)4/h4-10,17,22-23H,11-14H2,1-3H3;(H2,1,2,3,4)/p-2