(3S)-N-(3-pyrazol-1-ylphenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[[5-(1H-pyrazol-5-yl)-2-thienyl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1-pyrazolyl)phenyl]-1-[[5-(1H-pyrazol-5-yl)-2-thiophenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[[5-(1H-pyrazol-5-yl)-2-thienyl]methyl]piperidin-1-ium-3-carboxamide Formula: C23H25N6OS+ MolecularWeight: 433.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(S2)C3=CC=NN3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(S2)C3=CC=NN3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C23H24N6OS/c30-23(26-18-5-1-6-19(14-18)29-13-3-10-25-29)17-4-2-12-28(15-17)16-20-7-8-22(31-20)21-9-11-24-27-21/h1,3,5-11,13-14,17H,2,4,12,15-16H2,(H,24,27)(H,26,30)/p+1/t17-/m0/s1