N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]acetamide Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C18H24N6O2S/c1-23-8-5-22-18(23)27-10-7-20-16(25)11-15-17(26)21-6-9-24(15)13-14-3-2-4-19-12-14/h2-5,8,12,15H,6-7,9-11,13H2,1H3,(H,20,25)(H,21,26)/p+1/t15-/m1/s1