2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile

Systemtic Name: 2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile Openeye Name: 2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile CAS Name: 2-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]-3-pyridinecarbonitrile IUPAC Name: 2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile Traditional Name: 2-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]nicotinonitrile Formula: C19H23N4+ MolecularWeight: 307.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=C(C=CC=N3)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=C(C=CC=N3)C#N

InChI

InChI=1S/C19H22N4/c20-13-18-5-4-10-21-19(18)22-14-16-6-8-17(9-7-16)15-23-11-2-1-3-12-23/h4-10H,1-3,11-12,14-15H2,(H,21,22)/p+1