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

Systemtic Name: pyrrolidin-1-yl-[1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]methanone Openeye Name: pyrrolidin-1-yl-[1-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone CAS Name: 1-pyrrolidinyl-[1-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]-4-triazolyl]methanone IUPAC Name: pyrrolidin-1-yl-[1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone Traditional Name: pyrrolidino-[1-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CSC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CSC=C4

InChI

InChI=1S/C17H23N5OS/c23-17(21-7-1-2-8-21)16-12-22(19-18-16)15-4-3-6-20(11-15)10-14-5-9-24-13-14/h5,9,12-13,15H,1-4,6-8,10-11H2/p+1/t15-/m0/s1