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

Systemtic Name: 1-(4-methylphenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]-1-(p-tolyl)ethanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-17-7-9-19(10-8-17)21(26)15-24-11-13-25(14-12-24)22-23-20(16-27-22)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3/p+1