2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C23H33N6O2S+ MolecularWeight: 457.61212

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3)CC[NH+]4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3)CC[NH+]4CCCCC4

InChI

InChI=1S/C23H32N6O2S/c1-2-9-29-21(8-14-27-10-4-3-5-11-27)25-26-23(29)32-17-20(30)18-15-19(24-16-18)22(31)28-12-6-7-13-28/h2,15-16,24H,1,3-14,17H2/p+1