2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C19H18ClN5+2 MolecularWeight: 351.83272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C4=C(C=CC=[NH+]4)C#N

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C4=C(C=CC=[NH+]4)C#N

InChI

InChI=1S/C19H16ClN5/c20-15-3-4-16-17(12-15)22-7-5-18(16)24-8-10-25(11-9-24)19-14(13-21)2-1-6-23-19/h1-7,12H,8-11H2/p+2