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

Systemtic Name: 4-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H23N3OS/c1-16-2-4-17(5-3-16)21-22-18(15-26-21)14-23-10-12-24(13-11-23)19-6-8-20(25)9-7-19/h2-9,15,25H,10-14H2,1H3/p+1