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

Systemtic Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-pyrrolidin-3-yl]methanol sulfate Openeye Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-pyrrolidin-3-yl]methanol sulfate CAS Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-3-pyrrolidinyl]methanol sulfate IUPAC Name: [3-[(3,4-dimethoxyphenyl)methyl]-4-ethylpyrrolidin-3-yl]methanol sulfate Traditional Name: (4-ethyl-3-veratryl-pyrrolidin-3-yl)methanol sulfate Formula: C16H25NO7S-2 MolecularWeight: 375.4372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CNCC1(CC2=CC(=C(C=C2)OC)OC)CO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC1CNCC1(CC2=CC(=C(C=C2)OC)OC)CO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H25NO3.H2O4S/c1-4-13-9-17-10-16(13,11-18)8-12-5-6-14(19-2)15(7-12)20-3;1-5(2,3)4/h5-7,13,17-18H,4,8-11H2,1-3H3;(H2,1,2,3,4)/p-2