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

Systemtic Name: 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[2-(3,4-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=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)OC

Isomeric SMILES

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

InChI

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