4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C15H18N3OS+ MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3OS/c1-11-2-4-12(5-3-11)15-17-13(10-20-15)8-18-7-6-16-14(19)9-18/h2-5,10H,6-9H2,1H3,(H,16,19)/p+1