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

Systemtic Name: piperidin-1-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methanone Openeye Name: 1-piperidyl-[1-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]methanone CAS Name: 1-piperidinyl-[1-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]methanone IUPAC Name: piperidin-1-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]methanone Traditional Name: piperidino-[1-[1-(3-thenyl)piperidin-1-ium-4-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)C3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C18H25N5OS/c24-18(22-7-2-1-3-8-22)17-13-23(20-19-17)16-4-9-21(10-5-16)12-15-6-11-25-14-15/h6,11,13-14,16H,1-5,7-10,12H2/p+1