1-[(3E)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazine dihydrochloride

Systemtic Name: 1-[(3E)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazine dihydrochloride Openeye Name: 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazine dihydrochloride CAS Name: 1-[(3E)-3-(2-chloro-9-thioxanthenylidene)propyl]piperazine dihydrochloride IUPAC Name: 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazine dihydrochloride Traditional Name: 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazine dihydrochloride Formula: C20H23Cl3N2S MolecularWeight: 429.83402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C20H21ClN2S.2ClH/c21-15-7-8-20-18(14-15)16(17-4-1-2-6-19(17)24-20)5-3-11-23-12-9-22-10-13-23;;/h1-2,4-8,14,22H,3,9-13H2;2*1H/b16-5+;;