N,N-diethyl-2-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]triazol-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-triazolyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]triazol-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]triazol-1-yl]acetamide Formula: C18H27N6O2S+ MolecularWeight: 391.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H26N6O2S/c1-3-22(4-2)17(25)14-24-13-16(19-20-24)18(26)23-9-7-21(8-10-23)12-15-6-5-11-27-15/h5-6,11,13H,3-4,7-10,12,14H2,1-2H3/p+1