N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H25N5O/c24-18(17-6-1-7-19-14-17)20-13-16-5-2-9-22(15-16)10-4-12-23-11-3-8-21-23/h1,3,6-8,11,14,16H,2,4-5,9-10,12-13,15H2,(H,20,24)/p+1/t16-/m1/s1