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

Systemtic Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one Openeye Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloro-indolin-2-one CAS Name: 5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethyl]-6-chloro-1,3-dihydroindol-2-one IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one Traditional Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl]-6-chloro-oxindole Formula: C21H22ClN4OS+ MolecularWeight: 413.94358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/p+1