2-[4-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperazino]pyridin-1-ium-3-carbonitrile Formula: C24H19ClN5OS+ MolecularWeight: 460.95856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C24H18ClN5OS/c25-22-8-7-21(32-22)20-14-18(17-5-1-2-6-19(17)28-20)24(31)30-12-10-29(11-13-30)23-16(15-26)4-3-9-27-23/h1-9,14H,10-13H2/p+1