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

Systemtic Name: 1-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C17H21N3OS/c1-13-3-5-15(6-4-13)17-18-16(12-22-17)11-19-7-9-20(10-8-19)14(2)21/h3-6,12H,7-11H2,1-2H3/p+1