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

Systemtic Name: (3E)-3-(2-chloranyl-3-methoxy-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine sulfate Openeye Name: (3E)-3-(2-chloro-3-methoxy-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine sulfate CAS Name: (3E)-3-(2-chloro-3-methoxy-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine sulfate IUPAC Name: (3E)-3-(2-chloro-3-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine sulfate Traditional Name: [(3E)-3-(2-chloro-3-methoxy-thioxanthen-9-ylidene)propyl]-dimethyl-amine sulfate Formula: C19H20ClNO5S2-2 MolecularWeight: 441.9488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC=C1C2=CC=CC=C2SC3=CC(=C(C=C31)Cl)OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN(C)CC/C=C/1\C2=CC=CC=C2SC3=CC(=C(C=C31)Cl)OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H20ClNOS.H2O4S/c1-21(2)10-6-8-13-14-7-4-5-9-18(14)23-19-12-17(22-3)16(20)11-15(13)19;1-5(2,3)4/h4-5,7-9,11-12H,6,10H2,1-3H3;(H2,1,2,3,4)/p-2/b13-8+;