5-[2-[4-(7-bromanyl-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one

Systemtic Name: 5-[2-[4-(7-bromanyl-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one Openeye Name: 5-[2-[4-(7-bromo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloro-indolin-2-one CAS Name: 5-[2-[4-(7-bromo-1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethyl]-6-chloro-1,3-dihydroindol-2-one IUPAC Name: 5-[2-[4-(7-bromo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one Traditional Name: 5-[2-[4-(7-bromo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloro-oxindole Formula: C21H21BrClN4OS+ MolecularWeight: 492.83964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=C4C=CC=C5Br

Isomeric SMILES

C1CN(CC[NH+]1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=C4C=CC=C5Br

InChI

InChI=1S/C21H20BrClN4OS/c22-16-3-1-2-15-20(16)29-25-21(15)27-8-6-26(7-9-27)5-4-13-10-14-11-19(28)24-18(14)12-17(13)23/h1-3,10,12H,4-9,11H2,(H,24,28)/p+1