2-[4-[3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-4-ium-1-yl]ethyl ethanoate

Systemtic Name: 2-[4-[3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-4-ium-1-yl]ethyl ethanoate Openeye Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-4-ium-1-yl]ethyl acetate CAS Name: acetic acid 2-[4-[3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazin-4-iumyl]ethyl ester IUPAC Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-4-ium-1-yl]ethyl acetate Traditional Name: acetic acid 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-4-ium-1-yl]ethyl ester Formula: C24H28ClN2O2S+ MolecularWeight: 444.00932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1CC[NH+](CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(=O)OCCN1CC[NH+](CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2O2S/c1-18(28)29-16-15-27-13-11-26(12-14-27)10-4-6-20-21-5-2-3-7-23(21)30-24-9-8-19(25)17-22(20)24/h2-3,5-9,17H,4,10-16H2,1H3/p+1