(3R,4S)-3-ethyl-1-methyl-4-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]piperidin-3-ol

Systemtic Name: (3R,4S)-3-ethyl-1-methyl-4-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]piperidin-3-ol Openeye Name: (3R,4S)-3-ethyl-1-methyl-4-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]piperidin-3-ol CAS Name: (3R,4S)-3-ethyl-1-methyl-4-[2-(1-methyl-2-indolyl)-1,3-dithian-2-yl]-3-piperidinol IUPAC Name: (3R,4S)-3-ethyl-1-methyl-4-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]piperidin-3-ol Traditional Name: (3R,4S)-3-ethyl-1-methyl-4-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]piperidin-3-ol Formula: C21H30N2OS2 MolecularWeight: 390.6057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(CCC1C2(SCCCS2)C3=CC4=CC=CC=C4N3C)C)O

Isomeric SMILES

CC[C@@]1(CN(CC[C@@H]1C2(SCCCS2)C3=CC4=CC=CC=C4N3C)C)O

InChI

InChI=1S/C21H30N2OS2/c1-4-20(24)15-22(2)11-10-18(20)21(25-12-7-13-26-21)19-14-16-8-5-6-9-17(16)23(19)3/h5-6,8-9,14,18,24H,4,7,10-13,15H2,1-3H3/t18-,20-/m0/s1