2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; methanesulfonic acid

Systemtic Name: 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; methanesulfonic acid Openeye Name: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; methanesulfonic acid CAS Name: 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine; methanesulfonic acid IUPAC Name: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; methanesulfonic acid Traditional Name: 2-chloro-10-[3-(4-methylpiperazino)propyl]phenothiazine; mesylic acid Formula: C22H32ClN3O6S3 MolecularWeight: 566.15398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H24ClN3S.2CH4O3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;2*1H3,(H,2,3,4)