2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 2-[[4-(2-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-quinolin-1-ium-2-ylpiperazino)sulfonylbenzonitrile Formula: C20H19N4O2S+ MolecularWeight: 379.45546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18N4O2S/c21-15-17-6-2-4-8-19(17)27(25,26)24-13-11-23(12-14-24)20-10-9-16-5-1-3-7-18(16)22-20/h1-10H,11-14H2/p+1