(3S,3aR,7aR)-3,3a-dimethyl-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indole

Systemtic Name: (3S,3aR,7aR)-3,3a-dimethyl-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indole Openeye Name: (3S,3aR,7aR)-1-benzyl-3,3a-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indole CAS Name: (3S,3aR,7aR)-3,3a-dimethyl-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indole IUPAC Name: (3S,3aR,7aR)-1-benzyl-3,3a-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indole Traditional Name: (3S,3aR,7aR)-1-benzyl-3,3a-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indole Formula: C17H25N MolecularWeight: 243.3871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2C1(CCCC2)C)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN([C@H]2[C@@]1(CCCC2)C)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N/c1-14-12-18(13-15-8-4-3-5-9-15)16-10-6-7-11-17(14,16)2/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3/t14-,16-,17-/m1/s1