4-(2-bromanylthioxanthen-9-ylidene)-1-methyl-piperidine; methanesulfonate

Systemtic Name: 4-(2-bromanylthioxanthen-9-ylidene)-1-methyl-piperidine; methanesulfonate Openeye Name: 4-(2-bromothioxanthen-9-ylidene)-1-methyl-piperidine; methanesulfonate CAS Name: 4-(2-bromo-9-thioxanthenylidene)-1-methylpiperidine; methanesulfonate IUPAC Name: 4-(2-bromothioxanthen-9-ylidene)-1-methylpiperidine; methanesulfonate Traditional Name: 4-(2-bromothioxanthen-9-ylidene)-1-methyl-piperidine mesylate Formula: C20H21BrNO3S2- MolecularWeight: 467.41964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Br)CC1.CS(=O)(=O)[O-]

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Br)CC1.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H18BrNS.CH4O3S/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19;1-5(2,3)4/h2-7,12H,8-11H2,1H3;1H3,(H,2,3,4)/p-1