(4aS,5R,7S)-7-methyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydrocyclopenta[c]pyridine-4a,5,7-triol

Systemtic Name: (4aS,5R,7S)-7-methyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydrocyclopenta[c]pyridine-4a,5,7-triol Openeye Name: (4aS,5R,7S)-2-benzyl-7-methyl-1,3,4,5,6,7a-hexahydrocyclopenta[c]pyridine-4a,5,7-triol CAS Name: (4aS,5R,7S)-7-methyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydrocyclopenta[c]pyridine-4a,5,7-triol IUPAC Name: (4aS,5R,7S)-2-benzyl-7-methyl-1,3,4,5,6,7a-hexahydrocyclopenta[c]pyridine-4a,5,7-triol Traditional Name: (4aS,5R,7S)-2-benzyl-7-methyl-1,3,4,5,6,7a-hexahydro-2-pyrindine-4a,5,7-triol Formula: C16H23NO3 MolecularWeight: 277.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2(C1CN(CC2)CC3=CC=CC=C3)O)O)O

Isomeric SMILES

C[C@@]1(C[C@H]([C@]2(C1CN(CC2)CC3=CC=CC=C3)O)O)O

InChI

InChI=1S/C16H23NO3/c1-15(19)9-14(18)16(20)7-8-17(11-13(15)16)10-12-5-3-2-4-6-12/h2-6,13-14,18-20H,7-11H2,1H3/t13?,14-,15+,16+/m1/s1