Molecule ID: 86289356

IUPAC Name: (5S)-12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;methanesulfonic acid

Description: The molecule is a methanesulfonate (mesylate) salt prepared from equimolar amounts of (S)-tetrindole and methanesulfonic acid. It contains a (S)-tetrindole(1+). It is an enantiomer of a (R)-tetrindole mesylate.

SMILES: CS(=O)(=O)O.c1cc2c(cc1C1CCCCC1)c1c3n2CCN[C@H]3CCC1

SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O].[C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][N][Ring1][=N][C][C][N][C@H1][Ring1][=Branch1][C][C][C][Ring1][#Branch2]

InChI: InChI=1S/C20H26N2.CH4O3S/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18;1-5(2,3)4/h9-10,13-14,18,21H,1-8,11-12H2;1H3,(H,2,3,4)/t18-;/m0./s1

Molecular Properties:
- Polar Surface Area: 79.7 Ų
- LogP: nan