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

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCNC(=O)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCNC(=O)C3)OC

InChI

InChI=1S/C16H19N3O3S/c1-21-13-4-3-11(7-14(13)22-2)16-18-12(10-23-16)8-19-6-5-17-15(20)9-19/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,20)/p+1