N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H23N3O/c25-21(20-11-4-12-22-16-20)23-15-19-10-6-14-24(17-19)13-5-9-18-7-2-1-3-8-18/h1-4,7-8,11-12,16,19H,6,10,13-15,17H2,(H,23,25)/p+1/t19-/m1/s1