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

Systemtic Name: N-[2-[1-(quinolin-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-(4-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-(4-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-(quinolin-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(4-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=CC=NC5=CC=CC=C45

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=CC=NC5=CC=CC=C45

InChI

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