6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile Openeye Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile CAS Name: 6-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile Traditional Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]nicotinonitrile Formula: C19H23N4+ MolecularWeight: 307.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3)C#N

InChI

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