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

Systemtic Name: 4-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidin-1-ium Openeye Name: 4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]-1-(3-thienylmethyl)piperidin-1-ium CAS Name: 4-[4-(1-pyrrolidin-1-iumylmethyl)-1-triazolyl]-1-(3-thiophenylmethyl)piperidin-1-ium IUPAC Name: 4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidin-1-ium Traditional Name: 4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]-1-(3-thenyl)piperidin-1-ium Formula: C17H27N5S+2 MolecularWeight: 333.49478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CN(N=N2)C3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CN(N=N2)C3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C17H25N5S/c1-2-7-20(6-1)12-16-13-22(19-18-16)17-3-8-21(9-4-17)11-15-5-10-23-14-15/h5,10,13-14,17H,1-4,6-9,11-12H2/p+2