N-(2,6-dimethylphenyl)-N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-N-[4-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-thiazolyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-N-[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=C(C(=CC=C1)C)N(C2=NC(=CS2)C[NH+]3CCNC(=O)C3)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)C[NH+]3CCNC(=O)C3)C(=O)C

InChI

InChI=1S/C18H22N4O2S/c1-12-5-4-6-13(2)17(12)22(14(3)23)18-20-15(11-25-18)9-21-8-7-19-16(24)10-21/h4-6,11H,7-10H2,1-3H3,(H,19,24)/p+1