(1R,5S)-8-[3-(2-chloranylphenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol; ethanesulfonic acid

Systemtic Name: (1R,5S)-8-[3-(2-chloranylphenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol; ethanesulfonic acid Openeye Name: (1R,5S)-8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol; ethanesulfonic acid CAS Name: (1R,5S)-8-[3-(2-chloro-10-phenothiazinyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol; ethanesulfonic acid IUPAC Name: (1R,5S)-8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol; ethanesulfonic acid Traditional Name: (1R,5S)-8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol; esylic acid Formula: C24H31ClN2O4S2 MolecularWeight: 511.09694

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1CC2CC(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

Isomeric SMILES

CCS(=O)(=O)O.C1C[C@H]2CC(C[C@@H]1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

InChI

InChI=1S/C22H25ClN2OS.C2H6O3S/c23-15-6-9-22-20(12-15)25(19-4-1-2-5-21(19)27-22)11-3-10-24-16-7-8-17(24)14-18(26)13-16;1-2-6(3,4)5/h1-2,4-6,9,12,16-18,26H,3,7-8,10-11,13-14H2;2H2,1H3,(H,3,4,5)/t16-,17+,18?;