N-(2,5-dimethylphenyl)-2-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[4-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-thiazolyl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[4-[(3-ketopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC2=NC(=CS2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC2=NC(=CS2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H22N4O2S/c1-12-3-4-13(2)15(7-12)21-16(23)8-18-20-14(11-25-18)9-22-6-5-19-17(24)10-22/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,19,24)(H,21,23)/p+1