1-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C26H32N7O2S+ MolecularWeight: 506.64298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C(=O)N

InChI

InChI=1S/C26H31N7O2S/c27-24(35)26(32-15-5-2-6-16-32)11-17-31(18-12-26)22(34)19-36-25-30-29-23(20-9-13-28-14-10-20)33(25)21-7-3-1-4-8-21/h1,3-4,7-10,13-14H,2,5-6,11-12,15-19H2,(H2,27,35)/p+1