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

Systemtic Name: 4-[4-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[2-(4-methylanilino)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[2-(4-methylanilino)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[2-(p-toluidino)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-16-2-4-17(5-3-16)22-21-23-18(15-27-21)14-24-10-12-25(13-11-24)19-6-8-20(26)9-7-19/h2-9,15,26H,10-14H2,1H3,(H,22,23)/p+1