2-[4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[1-oxo-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C25H36N7O2S+ MolecularWeight: 498.66404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C25H35N7O2S/c33-22(29-11-7-8-12-29)19-28-15-17-30(18-16-28)23(34)20-35-25-27-26-24(31-13-5-2-6-14-31)32(25)21-9-3-1-4-10-21/h1,3-4,9-10H,2,5-8,11-20H2/p+1