(3E)-3-(2-chloranyl-6-methoxy-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; hydron; sulfate; hydrate

Systemtic Name: (3E)-3-(2-chloranyl-6-methoxy-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; hydron; sulfate; hydrate Openeye Name: (3E)-3-(2-chloro-6-methoxy-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; hydron; sulfate; hydrate CAS Name: (3E)-3-(2-chloro-6-methoxy-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine; hydron; sulfate; hydrate IUPAC Name: (3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine; hydron; sulfate; hydrate Traditional Name: [(3E)-3-(2-chloro-6-methoxy-thioxanthen-9-ylidene)propyl]-dimethyl-amine; hydron; sulfate; hydrate Formula: C19H23ClNO6S2- MolecularWeight: 460.97202

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CN(C)CCC=C1C2=C(C=C(C=C2)OC)SC3=C1C=C(C=C3)Cl.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CN(C)CC/C=C/1\C2=C(C=C(C=C2)OC)SC3=C1C=C(C=C3)Cl.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H20ClNOS.H2O4S.H2O/c1-21(2)10-4-5-15-16-8-7-14(22-3)12-19(16)23-18-9-6-13(20)11-17(15)18;1-5(2,3)4;/h5-9,11-12H,4,10H2,1-3H3;(H2,1,2,3,4);1H2/p-1/b15-5+;;