6-chloranyl-4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one; methanesulfonic acid

Systemtic Name: 6-chloranyl-4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one; methanesulfonic acid Openeye Name: 6-chloro-4-methyl-1-[2-(1-piperidyl)ethylamino]thioxanthen-9-one; methanesulfonic acid CAS Name: 6-chloro-4-methyl-1-[2-(1-piperidinyl)ethylamino]-9-thioxanthenone; methanesulfonic acid IUPAC Name: 6-chloro-4-methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one; methanesulfonic acid Traditional Name: 6-chloro-4-methyl-1-(2-piperidinoethylamino)thioxanthen-9-one; mesylic acid Formula: C22H27ClN2O4S2 MolecularWeight: 483.04378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=C(S2)C=C(C=C4)Cl.CS(=O)(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=C(S2)C=C(C=C4)Cl.CS(=O)(=O)O

InChI

InChI=1S/C21H23ClN2OS.CH4O3S/c1-14-5-8-17(23-9-12-24-10-3-2-4-11-24)19-20(25)16-7-6-15(22)13-18(16)26-21(14)19;1-5(2,3)4/h5-8,13,23H,2-4,9-12H2,1H3;1H3,(H,2,3,4)