piperidin-1-yl-[1-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]methanone

Systemtic Name: piperidin-1-yl-[1-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]methanone Openeye Name: 1-piperidyl-[1-[(3S)-1-(2-thienylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone CAS Name: 1-piperidinyl-[1-[(3S)-1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]-4-triazolyl]methanone IUPAC Name: piperidin-1-yl-[1-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone Traditional Name: piperidino-[1-[(3S)-1-(2-thenyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CC=CS4

InChI

InChI=1S/C18H25N5OS/c24-18(22-9-2-1-3-10-22)17-14-23(20-19-17)15-6-4-8-21(12-15)13-16-7-5-11-25-16/h5,7,11,14-15H,1-4,6,8-10,12-13H2/p+1/t15-/m0/s1