(3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1-pyrazolyl)phenyl]-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-pyrazol-1-ylbenzyl)-N-(3-pyrazol-1-ylphenyl)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=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)N3C=CC=N3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

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