N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C16H26N7OS+ MolecularWeight: 364.48894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CN(N=N2)CC[NH+]3CCCCC3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CN(N=N2)CC[NH+]3CCCCC3

InChI

InChI=1S/C16H25N7OS/c1-21-9-5-18-16(21)25-12-6-17-15(24)14-13-23(20-19-14)11-10-22-7-3-2-4-8-22/h5,9,13H,2-4,6-8,10-12H2,1H3,(H,17,24)/p+1