N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-(2-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C24H25N6O+ MolecularWeight: 413.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H24N6O/c31-24(19-5-3-12-25-16-19)28-23-9-13-26-30(23)21-10-14-29(15-11-21)17-20-8-7-18-4-1-2-6-22(18)27-20/h1-9,12-13,16,21H,10-11,14-15,17H2,(H,28,31)/p+1