2-[3-[1-(2-piperidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridine-3-carbonitrile

Systemtic Name: 2-[3-[1-(2-piperidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridine-3-carbonitrile Openeye Name: 2-[3-[1-(2-piperidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridine-3-carbonitrile CAS Name: 2-[3-[1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolyl]phenyl]-3-pyridinecarbonitrile IUPAC Name: 2-[3-[1-(2-piperidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridine-3-carbonitrile Traditional Name: 2-[3-[1-(2-piperidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]nicotinonitrile Formula: C22H24N5+ MolecularWeight: 358.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=CC(=N2)C3=CC(=CC=C3)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=CC(=N2)C3=CC(=CC=C3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C22H23N5/c23-17-20-8-5-10-24-22(20)19-7-4-6-18(16-19)21-9-13-27(25-21)15-14-26-11-2-1-3-12-26/h4-10,13,16H,1-3,11-12,14-15H2/p+1