2-[(3S)-3-[4-propan-2-yl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(3S)-3-[4-propan-2-yl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(3S)-3-[4-isopropyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(3S)-3-[4-propan-2-yl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(3S)-3-[4-propan-2-yl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(3S)-3-[4-isopropyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H33N6OS+ MolecularWeight: 429.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CN=CC=C2)C3CCC[NH+](C3)CC(=O)N4CCCC4

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CN=CC=C2)[C@H]3CCC[NH+](C3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H32N6OS/c1-17(2)28-21(24-25-22(28)30-16-18-7-5-9-23-13-18)19-8-6-10-26(14-19)15-20(29)27-11-3-4-12-27/h5,7,9,13,17,19H,3-4,6,8,10-12,14-16H2,1-2H3/p+1/t19-/m0/s1