5-chloranyl-2-[4-[3-(5-fluoranyl-1H-indol-3-yl)propyl]piperazin-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-[4-[3-(5-fluoranyl-1H-indol-3-yl)propyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 5-chloro-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 5-chloro-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 5-chloro-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 5-chloro-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C22H23ClFN4S+ MolecularWeight: 429.961223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CNC3=C2C=C(C=C3)F)C4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CNC3=C2C=C(C=C3)F)C4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C22H22ClFN4S/c23-16-3-6-21-20(12-16)26-22(29-21)28-10-8-27(9-11-28)7-1-2-15-14-25-19-5-4-17(24)13-18(15)19/h3-6,12-14,25H,1-2,7-11H2/p+1