6-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C20H20N5+ MolecularWeight: 330.4063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C20H19N5/c21-13-16-6-7-19(23-14-16)25-11-9-24(10-12-25)15-18-4-1-3-17-5-2-8-22-20(17)18/h1-8,14H,9-12,15H2/p+1