(3aS,4S,5S,7aR)-3a-(1,3-benzodioxol-5-yl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole-4,5-diol

Systemtic Name: (3aS,4S,5S,7aR)-3a-(1,3-benzodioxol-5-yl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole-4,5-diol Openeye Name: (3aS,4S,5S,7aR)-3a-(1,3-benzodioxol-5-yl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole-4,5-diol CAS Name: (3aS,4S,5S,7aR)-3a-(1,3-benzodioxol-5-yl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole-4,5-diol IUPAC Name: (3aS,4S,5S,7aR)-3a-(1,3-benzodioxol-5-yl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole-4,5-diol Traditional Name: (3aS,4S,5S,7aR)-3a-(1,3-benzodioxol-5-yl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole-4,5-diol Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2(C1CCC(C2O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CC[C@@]2([C@H]1CC[C@@H]([C@H]2O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H21NO4/c1-17-7-6-16(14(17)5-3-11(18)15(16)19)10-2-4-12-13(8-10)21-9-20-12/h2,4,8,11,14-15,18-19H,3,5-7,9H2,1H3/t11-,14+,15+,16-/m0/s1