4-[[1-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methyl]-1,2,3-triazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[1-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methyl]-1,2,3-triazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[1-[[(3S)-1-(thiophene-2-carbonyl)-3-piperidyl]methyl]triazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[1-[[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]-4-triazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[1-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[1-[[(3S)-1-(2-thenoyl)-3-piperidyl]methyl]triazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)CN3C=C(N=N3)C[NH+]4CCNC(=O)C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)CN3C=C(N=N3)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C18H24N6O2S/c25-17-13-22(7-5-19-17)11-15-12-24(21-20-15)10-14-3-1-6-23(9-14)18(26)16-4-2-8-27-16/h2,4,8,12,14H,1,3,5-7,9-11,13H2,(H,19,25)/p+1/t14-/m0/s1