N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-N-[(2-methylthiazol-4-yl)methyl]-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-N-[(2-methyl-4-thiazolyl)methyl]-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-methyl-N-[(2-methylthiazol-4-yl)methyl]acetamide Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

CC1=NC(=CS1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C18H23N5O2S/c1-13-21-15(12-26-13)10-22(2)17(24)9-16-18(25)20-7-8-23(16)11-14-5-3-4-6-19-14/h3-6,12,16H,7-11H2,1-2H3,(H,20,25)/p+1/t16-/m1/s1