2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-4-oxidanidyl-piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-4-oxidanidyl-piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-oxido-piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-4-oxido-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-oxidopiperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-oxido-piperazin-4-ium-1-yl]ethanol Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CCO)(CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[O-]

Isomeric SMILES

C1C[N+](CCN1CCO)(CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C22H25ClN2O2S/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)28-22)5-3-12-25(27)13-9-24(10-14-25)11-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-