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

Systemtic Name: [4-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methanol sulfate Openeye Name: [4-(3,4-dimethoxyphenyl)-3-(p-tolylmethyl)pyrrolidin-3-yl]methanol sulfate CAS Name: [4-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methyl]-3-pyrrolidinyl]methanol sulfate IUPAC Name: [4-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methanol sulfate Traditional Name: [4-(3,4-dimethoxyphenyl)-3-(4-methylbenzyl)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)CC2(CNCC2C3=CC(=C(C=C3)OC)OC)CO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2(CNCC2C3=CC(=C(C=C3)OC)OC)CO.[O-]S(=O)(=O)[O-]

InChI

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