1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]-2-(phenylthio)ethanone Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3OS/c22-16-6-7-18-19(14-16)23-9-8-20(18)24-10-12-25(13-11-24)21(26)15-27-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/p+1