3-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]sulfonylbenzonitrile Formula: C20H18ClN4O2S+ MolecularWeight: 413.90052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O2S/c21-16-4-5-18-19(13-16)23-7-6-20(18)24-8-10-25(11-9-24)28(26,27)17-3-1-2-15(12-17)14-22/h1-7,12-13H,8-11H2/p+1