(2R)-N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(8-quinolylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(1-pyrazolyl)phenyl]-1-(8-quinolinylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(8-quinolylmethyl)piperidin-1-ium-2-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H25N5O/c31-25(28-21-10-12-22(13-11-21)30-17-5-15-27-30)23-9-1-2-16-29(23)18-20-7-3-6-19-8-4-14-26-24(19)20/h3-8,10-15,17,23H,1-2,9,16,18H2,(H,28,31)/p+1/t23-/m1/s1