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

Systemtic Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2-methylthiazol-4-yl)methyl]-2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2-methyl-4-thiazolyl)methyl]-2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]-N-[(2-methylthiazol-4-yl)methyl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NC(=CS1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H24N4O2S/c1-15-25-19(14-29-15)12-24-21(27)11-20-22(28)23-8-9-26(20)13-16-6-7-17-4-2-3-5-18(17)10-16/h2-7,10,14,20H,8-9,11-13H2,1H3,(H,23,28)(H,24,27)/p+1/t20-/m1/s1