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

Systemtic Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H23N3O2S/c1-26-18-8-6-16(7-9-18)21-22-17(15-27-21)14-23-10-12-24(13-11-23)19-4-2-3-5-20(19)25/h2-9,15,25H,10-14H2,1H3/p+1