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

Systemtic Name: N-(4-methylphenyl)-2-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-thiazolyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[4-[(3-ketopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]-N-(p-tolyl)acetamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-12-2-4-13(5-3-12)19-15(22)8-17-20-14(11-24-17)9-21-7-6-18-16(23)10-21/h2-5,11H,6-10H2,1H3,(H,18,23)(H,19,22)/p+1