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

Systemtic Name: N-[2-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-(2-naphthylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-(2-naphthalenylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(2-naphthylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25N5O/c31-25(22-6-3-12-26-17-22)28-24-9-13-27-30(24)23-10-14-29(15-11-23)18-19-7-8-20-4-1-2-5-21(20)16-19/h1-9,12-13,16-17,23H,10-11,14-15,18H2,(H,28,31)/p+1