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

Systemtic Name: 1-[4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[2-(3-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[2-(3-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[2-(3-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H21N3O2S/c1-13(21)20-8-6-19(7-9-20)11-15-12-23-17(18-15)14-4-3-5-16(10-14)22-2/h3-5,10,12H,6-9,11H2,1-2H3/p+1