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

Systemtic Name: 2-[4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H25N3O3S/c1-27-20-9-5-6-17(21(20)28-2)22-23-16(15-29-22)14-24-10-12-25(13-11-24)18-7-3-4-8-19(18)26/h3-9,15,26H,10-14H2,1-2H3/p+1