(3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-pyrazol-1-ylbenzyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H27N6O+ MolecularWeight: 427.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)N3C=CC=N3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)N3C=CC=N3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C25H26N6O/c32-25(28-22-9-7-20(8-10-22)24-11-13-26-29-24)21-5-2-14-30(18-21)17-19-4-1-6-23(16-19)31-15-3-12-27-31/h1,3-4,6-13,15-16,21H,2,5,14,17-18H2,(H,26,29)(H,28,32)/p+1/t21-/m0/s1