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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-12-4-3-5-15(8-12)21(13(2)22)17-19-14(11-24-17)9-20-7-6-18-16(23)10-20/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,18,23)/p+1