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

Systemtic Name: 1-[2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C26H38N7O2S+ MolecularWeight: 512.69062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)C5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)C5=CN=CC=C5

InChI

InChI=1S/C26H37N7O2S/c27-24(35)26(32-14-5-2-6-15-32)11-16-31(17-12-26)22(34)19-36-25-30-29-23(20-8-7-13-28-18-20)33(25)21-9-3-1-4-10-21/h7-8,13,18,21H,1-6,9-12,14-17,19H2,(H2,27,35)/p+1