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

Systemtic Name: [4-(3,4-dimethoxyphenyl)-3-(phenylmethyl)pyrrolidin-3-yl]methanol sulfate Openeye Name: [3-benzyl-4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanol sulfate CAS Name: [4-(3,4-dimethoxyphenyl)-3-(phenylmethyl)-3-pyrrolidinyl]methanol sulfate IUPAC Name: [3-benzyl-4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanol sulfate Traditional Name: [3-benzyl-4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanol sulfate Formula: C20H25NO7S-2 MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CNCC2(CC3=CC=CC=C3)CO)OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2CNCC2(CC3=CC=CC=C3)CO)OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H25NO3.H2O4S/c1-23-18-9-8-16(10-19(18)24-2)17-12-21-13-20(17,14-22)11-15-6-4-3-5-7-15;1-5(2,3)4/h3-10,17,21-22H,11-14H2,1-2H3;(H2,1,2,3,4)/p-2