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

Systemtic Name: [4-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[2-(4-methylanilino)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[2-(4-methylanilino)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: phenyl-[4-[[2-(p-toluidino)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-17-7-9-19(10-8-17)23-22-24-20(16-28-22)15-25-11-13-26(14-12-25)21(27)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,23,24)/p+1