4-(2-chloranylxanthen-9-ylidene)-1-ethyl-piperidine; methanesulfonate

Systemtic Name: 4-(2-chloranylxanthen-9-ylidene)-1-ethyl-piperidine; methanesulfonate Openeye Name: 4-(2-chloroxanthen-9-ylidene)-1-ethyl-piperidine; methanesulfonate CAS Name: 4-(2-chloro-9-xanthenylidene)-1-ethylpiperidine; methanesulfonate IUPAC Name: 4-(2-chloroxanthen-9-ylidene)-1-ethylpiperidine; methanesulfonate Traditional Name: 4-(2-chloroxanthen-9-ylidene)-1-ethyl-piperidine mesylate Formula: C21H23ClNO4S- MolecularWeight: 420.92962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)CC1.CS(=O)(=O)[O-]

Isomeric SMILES

CCN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)CC1.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H20ClNO.CH4O3S/c1-2-22-11-9-14(10-12-22)20-16-5-3-4-6-18(16)23-19-8-7-15(21)13-17(19)20;1-5(2,3)4/h3-8,13H,2,9-12H2,1H3;1H3,(H,2,3,4)/p-1